THYMOL BLUE

CC(C)C1=CC(=C(C)C=C1O)C2(OS(=O)(=O)C3=CC=CC=C23)C4=C(C)C=C(O)C(=C4)C(C)C

InChIKey=PRZSXZWFJHEZBJ-UHFFFAOYSA-N

InChI=1S/C27H30O5S/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6/h7-16,28-29H,1-6H3

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

PubMed

Title	Date	PubMed
Rational quantitative structure-activity relationship (RQSAR) screen for PXR and CAR isoform-specific nuclear receptor ligands.	2010-12-05	20869355

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:19:41 GMT 2025` Edited by `admin` on `Mon Mar 31 21:19:41 GMT 2025`
Record UNII	8YB4804L4M
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

THYMOL BLUE

Common Name

English

NSC-11238

Preferred Name

English

4,4'-(3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(5-METHYL-2-(1-METHYLETHYL)PHENOL) S,S-DIOXIDE

Common Name

English

THYMOL BLUE [MI]

Common Name

English

THYMOLSULFONEPHTHALEIN

Common Name

English

PHENOL, 4,4'-(3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(5-METHYL-2-(1-METHYLETHYL)-, S,S-DIOXIDE

Systematic Name

English

THYMOLSULFOPHTHALEIN

Common Name

English

PHENOL, 4,4'-(1,1-DIOXIDO-3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(5-METHYL-2-(1-METHYLETHYL)-

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m10825