Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H14O2S2
Molecular Weight	278.39
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester

Structure Search

SMILES

O=S(=O)(CC1=CC=CC=C1)SCC2=CC=CC=C2

InChI

InChIKey=LAVBKIWRWNKSGD-UHFFFAOYSA-N

InChI=1S/C14H14O2S2/c15-18(16,12-14-9-5-2-6-10-14)17-11-13-7-3-1-4-8-13/h1-10H,11-12H2

HIDE SMILES / InChI

Molecular Formula	C14H14O2S2
Molecular Weight	278.39
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:48:23 GMT 2025` Edited by `admin` on `Tue Apr 01 19:48:23 GMT 2025`
Record UNII	Q8R7PV32QB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester

Systematic Name

English

NSC-74663

Preferred Name

English

S-(Phenylmethyl) benzenemethanesulfonothioate

Systematic Name

English

Code System Code Type Description

PUBCHEM

252586

Created by admin on Tue Apr 01 19:48:23 GMT 2025 , Edited by admin on Tue Apr 01 19:48:23 GMT 2025

PRIMARY

EPA CompTox

DTXSID4075112

Created by admin on Tue Apr 01 19:48:23 GMT 2025 , Edited by admin on Tue Apr 01 19:48:23 GMT 2025

PRIMARY

NSC

74663

Created by admin on Tue Apr 01 19:48:23 GMT 2025 , Edited by admin on Tue Apr 01 19:48:23 GMT 2025

PRIMARY

CAS

16601-40-4

Created by admin on Tue Apr 01 19:48:23 GMT 2025 , Edited by admin on Tue Apr 01 19:48:23 GMT 2025

PRIMARY

FDA UNII

Q8R7PV32QB

Created by admin on Tue Apr 01 19:48:23 GMT 2025 , Edited by admin on Tue Apr 01 19:48:23 GMT 2025

PRIMARY