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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H12OS3
Molecular Weight 304.45
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-OXO-3-(P-(PHENYLTHIO)PHENYL)DITHIOPROPIONIC ACID

SMILES

SC(=S)CC(=O)C1=CC=C(SC2=CC=CC=C2)C=C1

InChI

InChIKey=GAVCSUDWLMBAJW-UHFFFAOYSA-N
InChI=1S/C15H12OS3/c16-14(10-15(17)18)11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h1-9H,10H2,(H,17,18)

HIDE SMILES / InChI

Approval Year

Name Type Language
3-OXO-3-(P-(PHENYLTHIO)PHENYL)DITHIOPROPIONIC ACID
Common Name English
.BETA.-OXO-4-(PHENYLTHIO)BENZENEPROPANE(DITHIOIC) ACID
Preferred Name English
BENZENEPROPANE(DITHIOIC) ACID, .BETA.-OXO-4-(PHENYLTHIO)-
Systematic Name English
Code System Code Type Description
CAS
41054-41-5
Created by admin on Tue Apr 01 19:12:52 GMT 2025 , Edited by admin on Tue Apr 01 19:12:52 GMT 2025
PRIMARY
FDA UNII
WX9AZJ7W96
Created by admin on Tue Apr 01 19:12:52 GMT 2025 , Edited by admin on Tue Apr 01 19:12:52 GMT 2025
PRIMARY
PUBCHEM
6451678
Created by admin on Tue Apr 01 19:12:52 GMT 2025 , Edited by admin on Tue Apr 01 19:12:52 GMT 2025
PRIMARY
ECHA (EC/EINECS)
255-195-7
Created by admin on Tue Apr 01 19:12:52 GMT 2025 , Edited by admin on Tue Apr 01 19:12:52 GMT 2025
PRIMARY
EPA CompTox
DTXSID30194022
Created by admin on Tue Apr 01 19:12:52 GMT 2025 , Edited by admin on Tue Apr 01 19:12:52 GMT 2025
PRIMARY