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Product Overview

Product Code

TRC-B699310

CAS Number

76-59-5

Product Format

Neat

Molecular Formula

C27 H28 Br2 O5 S

Molecular Weight

624.38

Product Categories

TRC

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

Bromothymol blue

CAS Number

76-59-5

Molecular Formula

C27 H28 Br2 O5 S

Molecular Weight

624.38

Accurate Mass

622.0024

SMILES

CC(C)c1cc(c(C)c(Br)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C(C)C)c(O)c(Br)c4C

InChI

InChI=1S/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3

IUPAC

2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1?^{6}-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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