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

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

Approval Year

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