OntologiesslmclassesCHEBI:86154   
JSON document
bromocresol purpleImported
http://purl.obolibrary.org/obo/CHEBI_86154

A member of the class of 2,1-benzoxathioles that is 2,1-benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3-bromo-4-hydroxy-5-methylphenyl groups. A hydrophilic dye that is used as a pH indicator and to measure serum albumin concentrations.

Defined bychebi
Also appears inmicro
Exact Synonyms
3,3-bis(3-bromo-4-hydroxy-5-methylphenyl)-2,1lambda(6)-benzoxathiole-1,1(3H)-dione
Related Synonyms
5',5"-dibromo-o-cresolsulfophthalein
HSDB 7729
class Information
charge

0

formula

C21H16Br2O5S

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21/h3-10,24-25H,1-2H3

inchikey

ABIUHPWEYMSGSR-UHFFFAOYSA-N

in_subset

3_STAR

mass

540.22200

monoisotopicmass

537.90852

smiles

Cc1cc(cc(Br)c1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)c(Br)c1

class Relations