BISPHENOL S

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H10O4S
Molecular Weight	250.27
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O)C=C2

InChI

InChIKey=VPWNQTHUCYMVMZ-UHFFFAOYSA-N

InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H

HIDE SMILES / InChI

Molecular Formula	C12H10O4S
Molecular Weight	250.27
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
Peroxidase-catalyzed co-oxidation of 3,3',5,5'-tetramethylbenzidine in the presence of substituted phenols and their polydisulfides.	2004 Jan	14659626
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524
Are structural analogues to bisphenol a safe alternatives?	2014 May	24563381
Genome-wide gene expression profiling of low-dose, long-term exposure of human osteosarcoma cells to bisphenol A and its analogs bisphenols AF and S.	2015 Aug	25912373
Rapid responses and mechanism of action for low-dose bisphenol S on ex vivo rat hearts and isolated myocytes: evidence of female-specific proarrhythmic effects.	2015 Jun	25723814
Structural bisphenol analogues differentially target steroidogenesis in murine MA-10 Leydig cells as well as the glucocorticoid receptor.	2015 Mar 2	25576683

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:40:11 GMT 2023` Edited by `admin` on `Fri Dec 15 16:40:11 GMT 2023`
Record UNII	3OX4RR782R
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BISPHENOL S

Common Name

English

NSC-683541

Code

English

4,4-SULFONYLDIPHENOL

Common Name

English

PHENOL, 4,4'-SULFONYLBIS-

Systematic Name

English

4,4'-SULFONYLDIPHENOL

Systematic Name

English

1, 1'-SULFONYLBIS(4-HYDROXYBENZENE)

Systematic Name

English

BISPHENOL-S

Common Name

English

BIS(4-HYDROXY(PHENYL))SULFONE

Systematic Name

English

1,1'-SULFONYLBIS(4-HYDROXYBENZENE)

Systematic Name

English

NSC-8712

Code

English

BIS(4-HYDROXY(PHENYL))SULPHONE

Systematic Name

English

SULPHONYLBISPHENOL

Systematic Name

English

Code System Code Type Description

CAS

80-09-1