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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H5ClOS2
Molecular Weight 228.718
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-CHLORO-4-PHENYL-1,2-DITHIOLE-3-ONE

SMILES

ClC1=C(C(=O)SS1)C2=CC=CC=C2

InChI

InChIKey=BWTGFYQZOUAOQW-UHFFFAOYSA-N
InChI=1S/C9H5ClOS2/c10-8-7(9(11)13-12-8)6-4-2-1-3-5-6/h1-5H

HIDE SMILES / InChI

Approval Year

Name Type Language
5-CHLORO-4-PHENYL-1,2-DITHIOLE-3-ONE
Systematic Name English
NSC-29804
Preferred Name English
3H-1,2-DITHIOL-3-ONE, 5-CHLORO-4-PHENYL-
Systematic Name English
Code System Code Type Description
CAS
2425-05-0
Created by admin on Mon Mar 31 17:36:51 GMT 2025 , Edited by admin on Mon Mar 31 17:36:51 GMT 2025
PRIMARY
PUBCHEM
17037
Created by admin on Mon Mar 31 17:36:51 GMT 2025 , Edited by admin on Mon Mar 31 17:36:51 GMT 2025
PRIMARY
NSC
29804
Created by admin on Mon Mar 31 17:36:51 GMT 2025 , Edited by admin on Mon Mar 31 17:36:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID8041537
Created by admin on Mon Mar 31 17:36:51 GMT 2025 , Edited by admin on Mon Mar 31 17:36:51 GMT 2025
PRIMARY
FDA UNII
J77BU43MZU
Created by admin on Mon Mar 31 17:36:51 GMT 2025 , Edited by admin on Mon Mar 31 17:36:51 GMT 2025
PRIMARY