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Details

Stereochemistry ACHIRAL
Molecular Formula C10H8ClS3
Molecular Weight 259.819
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 3-(4-Chlorophenyl)-5-(methylthio)-1,2-dithiol-1-ium

SMILES

CSC1=[S+]SC(=C1)C2=CC=C(Cl)C=C2

InChI

InChIKey=DGYVRGHHMNGXKB-UHFFFAOYSA-N
InChI=1S/C10H8ClS3/c1-12-10-6-9(13-14-10)7-2-4-8(11)5-3-7/h2-6H,1H3/q+1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-(4-Chlorophenyl)-5-(methylthio)-1,2-dithiol-1-ium
Systematic Name English
3-(4-CHLOROPHENYL)-1LAMBDA(4),2-DITHIOL-5-YL METHYL SULFIDE
Preferred Name English
1,2-Dithiol-1-ium, 3-(4-chlorophenyl)-5-(methylthio)-
Systematic Name English
Code System Code Type Description
CAS
46298-98-0
Created by admin on Wed Apr 02 17:17:02 GMT 2025 , Edited by admin on Wed Apr 02 17:17:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID20208425
Created by admin on Wed Apr 02 17:17:02 GMT 2025 , Edited by admin on Wed Apr 02 17:17:02 GMT 2025
PRIMARY
PUBCHEM
494170
Created by admin on Wed Apr 02 17:17:02 GMT 2025 , Edited by admin on Wed Apr 02 17:17:02 GMT 2025
PRIMARY
FDA UNII
Q6J7M23CPE
Created by admin on Wed Apr 02 17:17:02 GMT 2025 , Edited by admin on Wed Apr 02 17:17:02 GMT 2025
PRIMARY
NIH
NCATS
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