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CHEBI:86218 - cresol red

ChEBI IDCHEBI:86218
ChEBI Namecresol red
Stars
DefinitionA 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 4-hydroxy-5-methylphenyl groups.
Last Modified29 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC21H18O5S
Net Charge0
Average Mass382.437
Monoisotopic Mass382.08749
SMILESCc1cc(C2(c3ccc(O)c(C)c3)OS(=O)(=O)c3ccccc32)ccc1O
InChIInChI=1S/C21H18O5S/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26-21/h3-12,22-23H,1-2H3
InChIKeyOBRMNDMBJQTZHV-UHFFFAOYSA-N
Wikipedia
Roles Classification
Applications:
two-colour indicator  A colour indicator that possesses a different colour on each side of the transition interval.
dye 
acid-base indicator  An acid or base which exhibits a colour change on neutralization by the basic or acidic titrant at or near the equivalence point of a titration.
ChEBI Ontology
Outgoing Relation(s)
cresol red (CHEBI:86218) has role acid-base indicator (CHEBI:50407)
cresol red (CHEBI:86218) has role dye (CHEBI:37958)
cresol red (CHEBI:86218) has role two-colour indicator (CHEBI:50412)
cresol red (CHEBI:86218) is a 2,1-benzoxathiole (CHEBI:38087)
cresol red (CHEBI:86218) is a arenesulfonate ester (CHEBI:38094)
cresol red (CHEBI:86218) is a polyphenol (CHEBI:26195)
cresol red (CHEBI:86218) is a sultone (CHEBI:38088)
IUPAC Name 
3,3-bis(4-hydroxy-5-methylphenyl)-2,1λ6-benzoxathiole-1,1(3H)-dione
Synonyms  Source
3',3''-DimethylphenolsulfonephthaleinChemIDplus
o-Cresol RedChemIDplus
CresolsulfophthaleinChemIDplus
NSC 7224ChemIDplus
o-CresolsulfonephthaleinChemIDplus
Manual XrefsDatabases
Cresol_RedWikipedia
Registry NumbersSources
Reaxys:343399Reaxys
CAS:1733-12-6ChemIDplus
Citations