BROMTHYMOL BLUE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H28Br2O5S
Molecular Weight	624.381
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=C(O)C(Br)=C(C)C(=C1)C2(OS(=O)(=O)C3=CC=CC=C23)C4=CC(C(C)C)=C(O)C(Br)=C4C

InChI

InChIKey=NUHCTOLBWMJMLX-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C27H28Br2O5S
Molecular Weight	624.381
Charge	0
Count

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

Approval Year

PubMed

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

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:45:40 GMT 2025` Edited by `admin` on `Mon Mar 31 17:45:40 GMT 2025`
Record UNII	VGU4LM0H96
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BROMTHYMOL BLUE

Common Name

English

BROMOTHYMOL BLUE

Preferred Name

English

PHENOL, 4,4'-(1,1-DIOXIDO-3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(2-BROMO-3-METHYL-6-(1-METHYLETHYL)-

Systematic Name

English

DIBROMOTHYMOLSULFOPHTHALEIN

Common Name

English

PHENOL, 4,4'-(3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(2-BROMO-3-METHYL-6-(1-METHYLETHYL)-, S,S-DIOXIDE

Common Name

English

NSC-7819

Code

English

BROMTHYMOL BLUE [MI]

Common Name

English

THYMOL, 6,6'-(3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(2-BROMO-, S,S-DIOXIDE

Common Name

English

3,3'-DIBROMOTHYMOLSULFOPHTHALEIN

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C461