CHEBI:86155 - bromothymol blue

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ChEBI Name bromothymol blue
ChEBI ID CHEBI:86155
Definition 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-isopropyl-2-methylphenyl groups.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C27H28Br2O5S
Net Charge 0
Average Mass 624.38100
Monoisotopic Mass 622.002
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
InChIKey NUHCTOLBWMJMLX-UHFFFAOYSA-N
SMILES CC(C)c1cc(c(C)c(Br)c1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C(C)C)c(O)c(Br)c1C
Roles Classification
Application(s): 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.
dye

two-colour indicator
A colour indicator that possesses a different colour on each side of the transition interval.
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ChEBI Ontology
Outgoing 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 Sources
4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl)phenol) S,S-dioxide ChemIDplus
bromothymol sulfone phthalein ChEBI
Bromthymol blue ChemIDplus
Manual Xref Database
Bromothymol_blue Wikipedia
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Registry Numbers Types Sources
373934 Reaxys Registry Number Reaxys
76-59-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
24792197 PubMed citation Europe PMC
25436239 PubMed citation Europe PMC
25730793 PubMed citation Europe PMC
25855368 PubMed citation Europe PMC
26065390 PubMed citation Europe PMC
Last Modified
24 June 2015