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Details

Stereochemistry ACHIRAL
Molecular Formula C10H8ClS3.I
Molecular Weight 386.723
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=OYPGIQRCGZYGIT-UHFFFAOYSA-M
InChI=1S/C10H8ClS3.HI/c1-12-10-6-9(13-14-10)7-2-4-8(11)5-3-7;/h2-6H,1H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C10H8ClS3
Molecular Weight 259.819
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula I
Molecular Weight 126.90447
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:45:08 GMT 2025
Edited
by admin
on Wed Apr 02 17:45:08 GMT 2025
Record UNII
9VK73H52TF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-Chlorophenyl)-5-(methylthio)-1,2-dithiol-1-ium iodide
Systematic Name English
1,2-Dithiol-1-ium, 3-(4-chlorophenyl)-5-(methylthio)-, iodide
Preferred Name English
1,2-Dithiol-1-ium, 3-(4-chlorophenyl)-5-(methylthio)-, iodide (1:1)
Systematic Name English
[5-(p-Chlorophenyl)-3H-1,2-dithiol-3-ylidene]methylsulfonium iodide
Systematic Name English
Code System Code Type Description
CAS
59704-70-0
Created by admin on Wed Apr 02 17:45:08 GMT 2025 , Edited by admin on Wed Apr 02 17:45:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID20208425
Created by admin on Wed Apr 02 17:45:08 GMT 2025 , Edited by admin on Wed Apr 02 17:45:08 GMT 2025
PRIMARY
PUBCHEM
24195771
Created by admin on Wed Apr 02 17:45:08 GMT 2025 , Edited by admin on Wed Apr 02 17:45:08 GMT 2025
PRIMARY
FDA UNII
9VK73H52TF
Created by admin on Wed Apr 02 17:45:08 GMT 2025 , Edited by admin on Wed Apr 02 17:45:08 GMT 2025
PRIMARY
NSC
197043
Created by admin on Wed Apr 02 17:45:08 GMT 2025 , Edited by admin on Wed Apr 02 17:45:08 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE