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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H13NS3
Molecular Weight 291.455
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((ANILINOCARBOTHIOYL)DITHIO)-4-METHYLBENZENE

SMILES

CC1=CC=C(SSC(=S)NC2=CC=CC=C2)C=C1

InChI

InChIKey=WCRCNAPSAWYMSM-UHFFFAOYSA-N
InChI=1S/C14H13NS3/c1-11-7-9-13(10-8-11)17-18-14(16)15-12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C14H13NS3
Molecular Weight 291.455
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 Wed Apr 02 08:48:05 GMT 2025
Edited
by admin
on Wed Apr 02 08:48:05 GMT 2025
Record UNII
V47QR0N2Q2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((ANILINOCARBOTHIOYL)DITHIO)-4-METHYLBENZENE
Systematic Name English
NSC-306498
Preferred Name English
CARBAMO(DITHIOPEROXO)THIOIC ACID, PHENYL-, 4-METHYLPHENYL ESTER
Systematic Name English
Code System Code Type Description
NSC
306498
Created by admin on Wed Apr 02 08:48:05 GMT 2025 , Edited by admin on Wed Apr 02 08:48:05 GMT 2025
PRIMARY
CAS
38509-81-8
Created by admin on Wed Apr 02 08:48:05 GMT 2025 , Edited by admin on Wed Apr 02 08:48:05 GMT 2025
PRIMARY
FDA UNII
V47QR0N2Q2
Created by admin on Wed Apr 02 08:48:05 GMT 2025 , Edited by admin on Wed Apr 02 08:48:05 GMT 2025
PRIMARY
PUBCHEM
3003923
Created by admin on Wed Apr 02 08:48:05 GMT 2025 , Edited by admin on Wed Apr 02 08:48:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID40191840
Created by admin on Wed Apr 02 08:48:05 GMT 2025 , Edited by admin on Wed Apr 02 08:48:05 GMT 2025
PRIMARY