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CHEBI:86155 - bromothymol blue

ChEBI IDCHEBI:86155
ChEBI Namebromothymol blue
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 3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl groups.
Last Modified24 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC27H28Br2O5S
Net Charge0
Average Mass624.391
Monoisotopic Mass622.00242
SMILESCc1c(C2(c3cc(C(C)C)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(C(C)C)c(O)c1Br
InChIInChI=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
InChIKeyNUHCTOLBWMJMLX-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)
bromothymol blue (CHEBI:86155) has role acid-base indicator (CHEBI:50407)
bromothymol blue (CHEBI:86155) has role dye (CHEBI:37958)
bromothymol blue (CHEBI:86155) has role two-colour indicator (CHEBI:50412)
bromothymol blue (CHEBI:86155) is a 2,1-benzoxathiole (CHEBI:38087)
bromothymol blue (CHEBI:86155) is a arenesulfonate ester (CHEBI:38094)
bromothymol blue (CHEBI:86155) is a organobromine compound (CHEBI:37141)
bromothymol blue (CHEBI:86155) is a polyphenol (CHEBI:26195)
bromothymol blue (CHEBI:86155) is a sultone (CHEBI:38088)
IUPAC Name 
3,3-bis[3-bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2,1λ6-benzoxathiole-1,1(3H)-dione
Synonyms  Source
Bromthymol blueChemIDplus
4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl)phenol) S,S-dioxideChemIDplus
bromothymol sulfone phthaleinChEBI
Manual XrefsDatabases
Bromothymol_blueWikipedia
Registry NumbersSources
Reaxys:373934Reaxys
CAS:76-59-5ChemIDplus
Citations