bromothymol blue (CHEBI:86155)

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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

Average Mass

624.38100

Monoisotopic Mass

622.00242

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.

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

Last Modified

24 June 2015