Analyte Name

Thiamine Acetate Hydrochloride

CAS Number

1037-29-2

Molecular Formula

C14H19N4O2S.HCl.Cl

Molecular Weight

379.31

Accurate Mass

378.0684

Flash Point

-20

SMILES

Cl.[Cl-].CC(=O)OCCc1sc[n+](Cc2cnc(C)nc2N)c1C

InChI

InChI=1S/C14H19N4O2S.2ClH/c1-9-13(4-5-20-11(3)19)21-8-18(9)7-12-6-16-10(2)17-14(12)15;;/h6,8H,4-5,7H2,1-3H3,(H2,15,16,17);2*1H/q+1;;/p-1

IUPAC

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl acetate;chloride;hydrochloride

Alternate CAS Number

Free base: 130967-52-1

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Thiamine Hydrochloride

Purity

>95% (HPLC)