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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H11ClINS2
Molecular Weight 419.731
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-IODODITHIOCARBANILIC ACID P-CHLOROBENZYL ESTER

SMILES

ClC1=CC=C(CSC(=S)NC2=CC=C(I)C=C2)C=C1

InChI

InChIKey=PIXZZGWCRXGBLC-UHFFFAOYSA-N
InChI=1S/C14H11ClINS2/c15-11-3-1-10(2-4-11)9-19-14(18)17-13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C14H11ClINS2
Molecular Weight 419.731
Charge 0
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 Tue Apr 01 19:59:50 GMT 2025
Edited
by admin
on Tue Apr 01 19:59:50 GMT 2025
Record UNII
79X6QM8W87
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
P-IODODITHIOCARBANILIC ACID P-CHLOROBENZYL ESTER
Systematic Name English
NSC-290746
Preferred Name English
CARBANILIC ACID, P-IODODITHIO-, P-CHLOROBENZYL ESTER
Common Name English
(4-CHLOROPHENYL)METHYL N-(4-IODOPHENYL)CARBAMODITHIOATE
Systematic Name English
Code System Code Type Description
CAS
3153-24-0
Created by admin on Tue Apr 01 19:59:50 GMT 2025 , Edited by admin on Tue Apr 01 19:59:50 GMT 2025
PRIMARY
FDA UNII
79X6QM8W87
Created by admin on Tue Apr 01 19:59:50 GMT 2025 , Edited by admin on Tue Apr 01 19:59:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID00185427
Created by admin on Tue Apr 01 19:59:50 GMT 2025 , Edited by admin on Tue Apr 01 19:59:50 GMT 2025
PRIMARY
PUBCHEM
3032437
Created by admin on Tue Apr 01 19:59:50 GMT 2025 , Edited by admin on Tue Apr 01 19:59:50 GMT 2025
PRIMARY
NSC
290746
Created by admin on Tue Apr 01 19:59:50 GMT 2025 , Edited by admin on Tue Apr 01 19:59:50 GMT 2025
PRIMARY