LC PestiMix 1 10 µg/mL in Acetonitrile
Product Code
DRE-A50000801AL
CAS Number
103 AnalytesProduct Format
Mixture
Solvent
Acetonitrile
Product Categories
Dr. Ehrenstorfer, Pesticide & Metabolite Reference Materials and Research Chemicals , Pesticide and Metabolite Reference Materials
Product Type
Native/ParentShare product
- Product Name: LC PestiMix 1 10 µg/mL in Acetonitrile
- Product Code: DRE-A50000801AL
- Brand: Dr. Ehrenstorfer
Documentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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Molecular Formula
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SMILES
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InChI
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IUPAC
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(S)-Indoxacarb
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C22 H17 Cl F3 N3 O7
Molecular Weight
527.83
Accurate Mass
527.0707
SMILES
COC(=O)N(C(=O)N1CO[C@]2(Cc3cc(Cl)ccc3C2=N1)C(=O)OC)c4ccc(OC(F)(F)F)cc4
InChI
InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1
IUPAC
methyl (4aS)-7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate
Acetamiprid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H11 Cl N4
Molecular Weight
222.67
Accurate Mass
222.0672
SMILES
CN(Cc1ccc(Cl)nc1)\C(=N\C#N)\C
InChI
InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+
IUPAC
N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide
Aldicarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H14 N2 O2 S
Molecular Weight
190.26
Accurate Mass
190.0776
SMILES
CNC(=O)ON=CC(C)(C)SC
InChI
InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)
IUPAC
[(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate
Aldicarb-sulfone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H14 N2 O4 S
Molecular Weight
222.26
Accurate Mass
222.0674
SMILES
CNC(=O)ON=CC(C)(C)S(=O)(=O)C
InChI
InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)
IUPAC
[(2-methyl-2-methylsulfonylpropylidene)amino] N-methylcarbamate
Ametryn
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H17 N5 S
Molecular Weight
227.33
Accurate Mass
227.1205
SMILES
CCNc1nc(NC(C)C)nc(SC)n1
InChI
InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
IUPAC
4-N-ethyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Atraton
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H17 N5 O
Molecular Weight
211.26
Accurate Mass
211.1433
SMILES
CCNc1nc(NC(C)C)nc(OC)n1
InChI
InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
IUPAC
4-N-ethyl-6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Atrazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H14 Cl N5
Molecular Weight
215.68
Accurate Mass
215.0938
SMILES
CCNc1nc(Cl)nc(NC(C)C)n1
InChI
InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
IUPAC
6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Atrazine-desethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H10 Cl N5
Molecular Weight
187.63
Accurate Mass
187.0625
SMILES
CC(C)Nc1nc(N)nc(Cl)n1
InChI
InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)
IUPAC
6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Azoxystrobin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H17 N3 O5
Molecular Weight
403.39
Accurate Mass
403.1168
SMILES
CO\C=C(\C(=O)OC)/c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2
InChI
InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
IUPAC
methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
Benalaxyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H23 N O3
Molecular Weight
325.40
Accurate Mass
325.1678
SMILES
COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(C)cccc2C
InChI
InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3
IUPAC
methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
Bendiocarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H13 N O4
Molecular Weight
223.23
Accurate Mass
223.0845
SMILES
CNC(=O)Oc1cccc2OC(C)(C)Oc12
InChI
InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)
IUPAC
(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate
Bitertanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H23 N3 O2
Molecular Weight
337.42
Accurate Mass
337.179
SMILES
CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3
InChI
InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3
IUPAC
3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
Boscalid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H12 Cl2 N2 O
Molecular Weight
343.21
Accurate Mass
342.0327
SMILES
Clc1ccc(cc1)c2ccccc2NC(=O)c3cccnc3Cl
InChI
InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)
IUPAC
2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
Buprofezin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H23 N3 O S
Molecular Weight
305.44
Accurate Mass
305.1562
SMILES
CC(C)N1C(=NC(C)(C)C)SCN(C1=O)c2ccccc2
InChI
InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
IUPAC
2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one
Carbaryl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H11 N O2
Molecular Weight
201.22
Accurate Mass
201.079
SMILES
CNC(=O)Oc1cccc2ccccc12
InChI
InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)
IUPAC
naphthalen-1-yl N-methylcarbamate
Carbofuran
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H15 N O3
Molecular Weight
221.25
Accurate Mass
221.1052
SMILES
CNC(=O)Oc1cccc2CC(C)(C)Oc12
InChI
InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
IUPAC
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
Chloridazon
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H8 Cl N3 O
Molecular Weight
221.64
Accurate Mass
221.0356
SMILES
NC1=C(Cl)C(=O)N(N=C1)c2ccccc2
InChI
InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2
IUPAC
5-amino-4-chloro-2-phenylpyridazin-3-one
Cyanazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H13 Cl N6
Molecular Weight
240.69
Accurate Mass
240.089
SMILES
CCNc1nc(Cl)nc(NC(C)(C)C#N)n1
InChI
InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)
IUPAC
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
Cymoxanil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H10 N4 O3
Molecular Weight
198.18
Accurate Mass
198.0753
SMILES
CCNC(=O)NC(=O)C(=NOC)C#N
InChI
InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)
IUPAC
2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
Cyprodinil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H15 N3
Molecular Weight
225.29
Accurate Mass
225.1266
SMILES
Cc1cc(nc(Nc2ccccc2)n1)C3CC3
InChI
InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)
IUPAC
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine
Desmedipham
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H16 N2 O4
Molecular Weight
300.31
Accurate Mass
300.111
SMILES
CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1
InChI
InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)
IUPAC
[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate
Diethofencarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H21 N O4
Molecular Weight
267.32
Accurate Mass
267.1471
SMILES
CCOc1ccc(NC(=O)OC(C)C)cc1OCC
InChI
InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)
IUPAC
propan-2-yl N-(3,4-diethoxyphenyl)carbamate
Diethyltoluamide (DEET)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H17 N O
Molecular Weight
191.27
Accurate Mass
191.131
SMILES
CCN(CC)C(=O)c1cccc(C)c1
InChI
InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
IUPAC
N,N-diethyl-3-methylbenzamide
Diflufenican
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H11 F5 N2 O2
Molecular Weight
394.29
Accurate Mass
394.0741
SMILES
Fc1ccc(NC(=O)c2cccnc2Oc3cccc(c3)C(F)(F)F)c(F)c1
InChI
InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)
IUPAC
N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
Dimethomorph
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H22 Cl N O4
Molecular Weight
387.86
Accurate Mass
387.1237
SMILES
COc1ccc(cc1OC)C(=CC(=O)N2CCOCC2)c3ccc(Cl)cc3
InChI
InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3
IUPAC
3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
Dioxacarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H13 N O4
Molecular Weight
223.23
Accurate Mass
223.0845
SMILES
CNC(=O)Oc1ccccc1C2OCCO2
InChI
InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)
IUPAC
[2-(1,3-dioxolan-2-yl)phenyl] N-methylcarbamate
Ethiofencarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H15 N O2 S
Molecular Weight
225.31
Accurate Mass
225.0823
SMILES
CCSCc1ccccc1OC(=O)NC
InChI
InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)
IUPAC
[2-(ethylsulfanylmethyl)phenyl] N-methylcarbamate
Etofenprox
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C25 H28 O3
Molecular Weight
376.49
Accurate Mass
376.2038
SMILES
CCOc1ccc(cc1)C(C)(C)COCc2cccc(Oc3ccccc3)c2
InChI
InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3
IUPAC
1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Etoxazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H23 F2 N O2
Molecular Weight
359.41
Accurate Mass
359.1697
SMILES
CCOc1cc(ccc1C2COC(=N2)c3c(F)cccc3F)C(C)(C)C
InChI
InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3
IUPAC
4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
Famoxadone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H18 N2 O4
Molecular Weight
374.39
Accurate Mass
374.1267
SMILES
CC1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)cc3
InChI
InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3
IUPAC
3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
Flufenoxuron
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H11 Cl F6 N2 O3
Molecular Weight
488.77
Accurate Mass
488.0362
SMILES
Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Oc3ccc(cc3Cl)C(F)(F)F)cc2F
InChI
InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)
IUPAC
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide
Flusilazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H15 F2 N3 Si
Molecular Weight
315.39
Accurate Mass
315.1003
SMILES
C[Si](Cn1cncn1)(c2ccc(F)cc2)c3ccc(F)cc3
InChI
InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3
IUPAC
bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane
Flutolanil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H16 F3 N O2
Molecular Weight
323.31
Accurate Mass
323.1133
SMILES
CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
InChI
InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)
IUPAC
N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide
Halofenozide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H19 Cl N2 O2
Molecular Weight
330.81
Accurate Mass
330.1135
SMILES
CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c2ccccc2
InChI
InChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-7-5-4-6-8-14)20-16(22)13-9-11-15(19)12-10-13/h4-12H,1-3H3,(H,20,22)
IUPAC
N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide
Hexythiazox
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H21 Cl N2 O2 S
Molecular Weight
352.88
Accurate Mass
352.1012
SMILES
C[C@H]1[C@@H](SC(=O)N1C(=O)NC2CCCCC2)c3ccc(Cl)cc3
InChI
InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1
IUPAC
(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
Imazalil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H14 Cl2 N2 O
Molecular Weight
297.18
Accurate Mass
296.0483
SMILES
Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1
InChI
InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2
IUPAC
1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole
Imidacloprid
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C9 H10 Cl N5 O2
Molecular Weight
255.66
Accurate Mass
255.0523
SMILES
[O-][N+](=O)\N=C\1/NCCN1Cc2ccc(Cl)nc2
InChI
InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
IUPAC
(NE)-N-[1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-ylidene]nitramide
Iprovalicarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H28 N2 O3
Molecular Weight
320.43
Accurate Mass
320.21
SMILES
CC(C)OC(=O)N[C@@H](C(C)C)C(=O)NC(C)c1ccc(C)cc1
InChI
InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m0/s1
IUPAC
propan-2-yl N-[(2S)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate
Linuron
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H10 Cl2 N2 O2
Molecular Weight
249.09
Accurate Mass
248.0119
SMILES
CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChI
InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
IUPAC
3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea
Malathion
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H19 O6 P S2
Molecular Weight
330.36
Accurate Mass
330.0361
SMILES
CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
InChI
InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
IUPAC
diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate
Mecarbam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H20 N O5 P S2
Molecular Weight
329.37
Accurate Mass
329.0521
SMILES
CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC
InChI
InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3
IUPAC
ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate
Mepanipyrim
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H13 N3
Molecular Weight
223.27
Accurate Mass
223.1109
SMILES
CC#Cc1cc(C)nc(Nc2ccccc2)n1
InChI
InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)
IUPAC
4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine
Methamidophos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H8 N O2 P S
Molecular Weight
141.13
Accurate Mass
141.0013
SMILES
COP(=O)(N)SC
InChI
InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)
IUPAC
[amino(methylsulfanyl)phosphoryl]oxymethane
Methidathion
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H11 N2 O4 P S3
Molecular Weight
302.33
Accurate Mass
301.9619
SMILES
COC1=NN(CSP(=S)(OC)OC)C(=O)S1
InChI
InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3
IUPAC
3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one
Methiocarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H15 N O2 S
Molecular Weight
225.31
Accurate Mass
225.0823
SMILES
CNC(=O)Oc1cc(C)c(SC)c(C)c1
InChI
InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)
IUPAC
(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate
Methoprotryne
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H21 N5 O S
Molecular Weight
271.38
Accurate Mass
271.1467
SMILES
COCCCNc1nc(NC(C)C)nc(SC)n1
InChI
InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)
IUPAC
4-N-(3-methoxypropyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Methoxyfenozide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H28 N2 O3
Molecular Weight
368.47
Accurate Mass
368.21
SMILES
COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C
InChI
InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)
IUPAC
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide
Metolcarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H11 N O2
Molecular Weight
165.19
Accurate Mass
165.079
SMILES
CNC(=O)Oc1cccc(C)c1
InChI
InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)
IUPAC
(3-methylphenyl) N-methylcarbamate
Mexacarbate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H18 N2 O2
Molecular Weight
222.28
Accurate Mass
222.1368
SMILES
CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1
InChI
InChI=1S/C12H18N2O2/c1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5/h6-7H,1-5H3,(H,13,15)
IUPAC
[4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate
Monocrotophos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H14 N O5 P
Molecular Weight
223.16
Accurate Mass
223.061
SMILES
CNC(=O)\C=C(/C)\OP(=O)(OC)OC
InChI
InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+
IUPAC
dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate
Monuron
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H11 Cl N2 O
Molecular Weight
198.65
Accurate Mass
198.056
SMILES
CN(C)C(=O)Nc1ccc(Cl)cc1
InChI
InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
IUPAC
3-(4-chlorophenyl)-1,1-dimethylurea
Myclobutanil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H17 Cl N4
Molecular Weight
288.78
Accurate Mass
288.1142
SMILES
CCCCC(Cn1cncn1)(C#N)c2ccc(Cl)cc2
InChI
InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3
IUPAC
2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
Nuarimol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H12 Cl F N2 O
Molecular Weight
314.74
Accurate Mass
314.0622
SMILES
OC(c1ccc(F)cc1)(c2cncnc2)c3ccccc3Cl
InChI
InChI=1S/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22,13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11,22H
IUPAC
(2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-ylmethanol
Omethoate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H12 N O4 P S
Molecular Weight
213.19
Accurate Mass
213.0225
SMILES
CNC(=O)CSP(=O)(OC)OC
InChI
InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)
IUPAC
2-dimethoxyphosphorylsulfanyl-N-methylacetamide
Paraoxon-ethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14 N O6 P
Molecular Weight
275.20
Accurate Mass
275.0559
SMILES
CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]
InChI
InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
IUPAC
diethyl (4-nitrophenyl) phosphate
Paraoxon-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 N O6 P
Molecular Weight
247.14
Accurate Mass
247.0246
SMILES
COP(=O)(OC)Oc1ccc(cc1)[N+](=O)[O-]
InChI
InChI=1S/C8H10NO6P/c1-13-16(12,14-2)15-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
IUPAC
dimethyl (4-nitrophenyl) phosphate
Phenthoate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H17 O4 P S2
Molecular Weight
320.36
Accurate Mass
320.0306
SMILES
CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1
InChI
InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3
IUPAC
ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate
Phosalone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H15 Cl N O4 P S2
Molecular Weight
367.81
Accurate Mass
366.9869
SMILES
CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12
InChI
InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
IUPAC
6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one
Phosmet
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H12 N O4 P S2
Molecular Weight
317.32
Accurate Mass
316.9945
SMILES
COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O
InChI
InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
IUPAC
2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione
Phosphamidon
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H19 Cl N O5 P
Molecular Weight
299.69
Accurate Mass
299.0689
SMILES
CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl
InChI
InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3
IUPAC
[3-chloro-4-(diethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
Piperonyl butoxide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H30 O5
Molecular Weight
338.44
Accurate Mass
338.2093
SMILES
CCCCOCCOCCOCc1cc2OCOc2cc1CCC
InChI
InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3
IUPAC
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole
Pirimicarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H18 N4 O2
Molecular Weight
238.29
Accurate Mass
238.143
SMILES
CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C
InChI
InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3
IUPAC
[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate
Pirimiphos-ethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H24 N3 O3 P S
Molecular Weight
333.39
Accurate Mass
333.1276
SMILES
CCOP(=S)(OCC)Oc1cc(C)nc(n1)N(CC)CC
InChI
InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3
IUPAC
4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine
Pirimiphos-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H20 N3 O3 P S
Molecular Weight
305.33
Accurate Mass
305.0963
SMILES
CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1
InChI
InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3
IUPAC
4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine
Profenofos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H15 Br Cl O3 P S
Molecular Weight
373.63
Accurate Mass
371.9351
SMILES
CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl
InChI
InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3
IUPAC
4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
Promecarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H17 N O2
Molecular Weight
207.27
Accurate Mass
207.1259
SMILES
CNC(=O)Oc1cc(C)cc(c1)C(C)C
InChI
InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)
IUPAC
(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
Prometon
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H19 N5 O
Molecular Weight
225.29
Accurate Mass
225.159
SMILES
COc1nc(NC(C)C)nc(NC(C)C)n1
InChI
InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
IUPAC
6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Prometryn
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H19 N5 S
Molecular Weight
241.36
Accurate Mass
241.1361
SMILES
CSc1nc(NC(C)C)nc(NC(C)C)n1
InChI
InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
IUPAC
6-methylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Propargite
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H26 O4 S
Molecular Weight
350.47
Accurate Mass
350.1552
SMILES
CC(C)(C)c1ccc(OC2CCCCC2OS(=O)OCC#C)cc1
InChI
InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3
IUPAC
[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite
Propetamphos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H20 N O4 P S
Molecular Weight
281.31
Accurate Mass
281.0851
SMILES
CCNP(=S)(OC)O\C(=C\C(=O)OC(C)C)\C
InChI
InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+
IUPAC
propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate
Propham
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H13 N O2
Molecular Weight
179.22
Accurate Mass
179.0946
SMILES
CC(C)OC(=O)Nc1ccccc1
InChI
InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
IUPAC
propan-2-yl N-phenylcarbamate
Prosulfocarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H21 N O S
Molecular Weight
251.39
Accurate Mass
251.1344
SMILES
CCCN(CCC)C(=O)SCc1ccccc1
InChI
InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
IUPAC
S-benzyl N,N-dipropylcarbamothioate
Pyrazophos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H20 N3 O5 P S
Molecular Weight
373.36
Accurate Mass
373.0861
SMILES
CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C
InChI
InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3
IUPAC
ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
Pyridaphenthion
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H17 N2 O4 P S
Molecular Weight
340.33
Accurate Mass
340.0647
SMILES
CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)c2ccccc2
InChI
InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
IUPAC
6-diethoxyphosphinothioyloxy-2-phenylpyridazin-3-one
Pyriproxyfen
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H19 N O3
Molecular Weight
321.37
Accurate Mass
321.1365
SMILES
CC(COc1ccc(Oc2ccccc2)cc1)Oc3ccccn3
InChI
InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3
IUPAC
2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
Quinalphos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H15 N2 O3 P S
Molecular Weight
298.30
Accurate Mass
298.0541
SMILES
CCOP(=S)(OCC)Oc1cnc2ccccc2n1
InChI
InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3
IUPAC
diethoxy-quinoxalin-2-yloxy-sulfanylidene-?^{5}-phosphane
Quinchlorac
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H5 Cl2 N O2
Molecular Weight
242.06
Accurate Mass
240.9697
SMILES
OC(=O)c1c(Cl)ccc2cc(Cl)cnc12
InChI
InChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)
IUPAC
3,7-dichloroquinoline-8-carboxylic acid
Sebuthylazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H16 Cl N5
Molecular Weight
229.71
Accurate Mass
229.1094
SMILES
CCNc1nc(Cl)nc(NC(C)CC)n1
InChI
InChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
IUPAC
4-N-butan-2-yl-6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine
Siduron
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H20 N2 O
Molecular Weight
232.32
Accurate Mass
232.1576
SMILES
CC1CCCCC1NC(=O)Nc2ccccc2
InChI
InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)
IUPAC
1-(2-methylcyclohexyl)-3-phenylurea
Simetryn
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H15 N5 S
Molecular Weight
213.30
Accurate Mass
213.1048
SMILES
CCNc1nc(NCC)nc(SC)n1
InChI
InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
IUPAC
2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Spiroxamine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H35 N O2
Molecular Weight
297.48
Accurate Mass
297.2668
SMILES
CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1
InChI
InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3
IUPAC
N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine
Sulfotep
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H20 O5 P2 S2
Molecular Weight
322.32
Accurate Mass
322.0227
SMILES
CCOP(=S)(OCC)OP(=S)(OCC)OCC
InChI
InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3
IUPAC
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-?^{5}-phosphane
Tebuconazole
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C16H22ClN3O
Molecular Weight
307.82
Accurate Mass
307.1451
SMILES
CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn2cncn2
InChI
InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
IUPAC
1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
Tebufenozide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H28 N2 O2
Molecular Weight
352.47
Accurate Mass
352.2151
SMILES
CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C
InChI
InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
IUPAC
N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide
Tebufenpyrad
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H24 Cl N3 O
Molecular Weight
333.86
Accurate Mass
333.1608
SMILES
CCc1nn(C)c(C(=O)NCc2ccc(cc2)C(C)(C)C)c1Cl
InChI
InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)
IUPAC
N-[(4-tert-butylphenyl)methyl]-4-chloro-5-ethyl-2-methylpyrazole-3-carboxamide
Tebuthiuron
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H16 N4 O S
Molecular Weight
228.31
Accurate Mass
228.1045
SMILES
CNC(=O)N(C)c1nnc(s1)C(C)(C)C
InChI
InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14)
IUPAC
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea
Temephos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H20 O6 P2 S3
Molecular Weight
466.47
Accurate Mass
465.9897
SMILES
COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1
InChI
InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3
IUPAC
[4-(4-dimethoxyphosphinothioyloxyphenyl)sulfanylphenoxy]-dimethoxy-sulfanylidene-?5-phosphane
Terbufos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H21 O2 P S3
Molecular Weight
288.43
Accurate Mass
288.0441
SMILES
CCOP(=S)(OCC)SCSC(C)(C)C
InChI
InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3
IUPAC
tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-?^{5}-phosphane
Terbuthylazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H16 Cl N5
Molecular Weight
229.71
Accurate Mass
229.1094
SMILES
CCNc1nc(Cl)nc(NC(C)(C)C)n1
InChI
InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)
IUPAC
2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
Terbuthylazine-desethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H12 Cl N5
Molecular Weight
201.66
Accurate Mass
201.0781
SMILES
CC(C)(C)Nc1nc(N)nc(Cl)n1
InChI
InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)
IUPAC
4-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
Terbutryn
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H19 N5 S
Molecular Weight
241.36
Accurate Mass
241.1361
SMILES
CCNc1nc(NC(C)(C)C)nc(SC)n1
InChI
InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
IUPAC
4-N-tert-butyl-2-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Thiabendazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H7 N3 S
Molecular Weight
201.25
Accurate Mass
201.0361
SMILES
c1ccc2[nH]c(nc2c1)c3cscn3
InChI
InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
IUPAC
4-(1H-benzimidazol-2-yl)-1,3-thiazole
Thiamethoxam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 Cl N5 O3 S
Molecular Weight
291.71
Accurate Mass
291.0193
SMILES
CN1COCN(Cc2cnc(Cl)s2)C1=N[N+](=O)[O-]
InChI
InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3
IUPAC
N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide
Thidiazuron
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H8 N4 O S
Molecular Weight
220.25
Accurate Mass
220.0419
SMILES
O=C(Nc1ccccc1)Nc2cnns2
InChI
InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
IUPAC
1-phenyl-3-(thiadiazol-5-yl)urea
Thiobencarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H16 Cl N O S
Molecular Weight
257.78
Accurate Mass
257.0641
SMILES
CCN(CC)C(=O)SCc1ccc(Cl)cc1
InChI
InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
IUPAC
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate
Thiodicarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H18 N4 O4 S3
Molecular Weight
354.47
Accurate Mass
354.049
SMILES
CS\C(=N\OC(=O)N(C)SN(C)C(=O)O\N=C(/C)\SC)\C
InChI
InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7+,12-8+
IUPAC
methyl (1E)-N-[methyl-[methyl-[(E)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanylcarbamoyl]oxyethanimidothioate
Thionazin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H13 N2 O3 P S
Molecular Weight
248.24
Accurate Mass
248.0384
SMILES
CCOP(=S)(OCC)Oc1cnccn1
InChI
InChI=1S/C8H13N2O3PS/c1-3-11-14(15,12-4-2)13-8-7-9-5-6-10-8/h5-7H,3-4H2,1-2H3
IUPAC
diethoxy-pyrazin-2-yloxy-sulfanylidene-?^{5}-phosphane
Tolclofos-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H11 Cl2 O3 P S
Molecular Weight
301.13
Accurate Mass
299.9544
SMILES
COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl
InChI
InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3
IUPAC
(2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidene-?^{5}-phosphane
Triadimenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H18 Cl N3 O2
Molecular Weight
295.76
Accurate Mass
295.1088
SMILES
CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2
InChI
InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3
IUPAC
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Triazophos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H16 N3 O3 P S
Molecular Weight
313.31
Accurate Mass
313.065
SMILES
CCOP(=S)(OCC)Oc1ncn(n1)c2ccccc2
InChI
InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
IUPAC
diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidene-?^{5}-phosphane
Tricyclazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H7 N3 S
Molecular Weight
189.24
Accurate Mass
189.0361
SMILES
Cc1cccc2sc3nncn3c12
InChI
InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3
IUPAC
8-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Trifloxystrobin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H19 F3 N2 O4
Molecular Weight
408.37
Accurate Mass
408.1297
SMILES
CO\N=C(\C(=O)OC)/c1ccccc1CO\N=C(/C)\c2cccc(c2)C(F)(F)F
InChI
InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+
IUPAC
methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
Vamidothion
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H18 N O4 P S2
Molecular Weight
287.34
Accurate Mass
287.0415
SMILES
CNC(=O)C(C)SCCSP(=O)(OC)OC
InChI
InChI=1S/C8H18NO4PS2/c1-7(8(10)9-2)15-5-6-16-14(11,12-3)13-4/h7H,5-6H2,1-4H3,(H,9,10)
IUPAC
2-(2-dimethoxyphosphorylsulfanylethylsulfanyl)-N-methylpropanamide
Product Data
Storage Temperature
-18°C
Shipping Temperature
+20°C
Country of Origin
UNITED STATES
Product Format
Mixture
Solvent
Acetonitrile
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