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

Details

Stereochemistry ACHIRAL
Molecular Formula C3H2N2OS3
Molecular Weight 178.256
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-DIHYDRO-5-THIOXO-1,3,4-THIADIAZOLE-2-CARBOTHIOIC ACID

SMILES

SC(=O)C1=NNC(=S)S1

InChI

InChIKey=ITYXUANBHURHBJ-UHFFFAOYSA-N
InChI=1S/C3H2N2OS3/c6-2(7)1-4-5-3(8)9-1/h(H,5,8)(H,6,7)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1,3,4-THIADIAZOLE-2-CARBOTHIOIC ACID, 4,5-DIHYDRO-5-THIOXO-
Preferred Name English
4,5-DIHYDRO-5-THIOXO-1,3,4-THIADIAZOLE-2-CARBOTHIOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
6452941
Created by admin on Wed Apr 02 04:34:07 GMT 2025 , Edited by admin on Wed Apr 02 04:34:07 GMT 2025
PRIMARY
CAS
1135682-59-5
Created by admin on Wed Apr 02 04:34:07 GMT 2025 , Edited by admin on Wed Apr 02 04:34:07 GMT 2025
PRIMARY
FDA UNII
7RKA7YO0BW
Created by admin on Wed Apr 02 04:34:07 GMT 2025 , Edited by admin on Wed Apr 02 04:34:07 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966