U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H10O2S
Molecular Weight 218.272
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-BENZYL-3-THIOPHENECARBOXYLIC ACID

SMILES

OC(=O)C1=CSC=C1CC2=CC=CC=C2

InChI

InChIKey=YQOJOOWCCUYKSQ-UHFFFAOYSA-N
InChI=1S/C12H10O2S/c13-12(14)11-8-15-7-10(11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,14)

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-149699
Preferred Name English
4-BENZYL-3-THIOPHENECARBOXYLIC ACID
Systematic Name English
3-THIOPHENECARBOXYLIC ACID, 4-(PHENYLMETHYL)-
Systematic Name English
Code System Code Type Description
CAS
31926-70-2
Created by admin on Tue Apr 01 19:58:51 GMT 2025 , Edited by admin on Tue Apr 01 19:58:51 GMT 2025
PRIMARY
FDA UNII
FBY8LNI9ID
Created by admin on Tue Apr 01 19:58:51 GMT 2025 , Edited by admin on Tue Apr 01 19:58:51 GMT 2025
PRIMARY
NSC
149699
Created by admin on Tue Apr 01 19:58:51 GMT 2025 , Edited by admin on Tue Apr 01 19:58:51 GMT 2025
PRIMARY
PUBCHEM
288487
Created by admin on Tue Apr 01 19:58:51 GMT 2025 , Edited by admin on Tue Apr 01 19:58:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID20185762
Created by admin on Tue Apr 01 19:58:51 GMT 2025 , Edited by admin on Tue Apr 01 19:58:51 GMT 2025
PRIMARY