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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6N4O2S2
Molecular Weight 242.278
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ((7-MERCAPTO-1H-IMIDAZO(4,5-D)PYRIDAZIN-4-YL)THIO)ACETIC ACID

SMILES

OC(=O)CSC1=NNC(=S)C2=C1N=CN2

InChI

InChIKey=NLCWSOBKBUWBCY-UHFFFAOYSA-N
InChI=1S/C7H6N4O2S2/c12-3(13)1-15-7-5-4(8-2-9-5)6(14)10-11-7/h2H,1H2,(H,8,9)(H,10,14)(H,12,13)

HIDE SMILES / InChI

Molecular Formula C7H6N4O2S2
Molecular Weight 242.278
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 06:28:24 GMT 2025
Edited
by admin
on Wed Apr 02 06:28:24 GMT 2025
Record UNII
CL7R0UW72U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-64812
Preferred Name English
((7-MERCAPTO-1H-IMIDAZO(4,5-D)PYRIDAZIN-4-YL)THIO)ACETIC ACID
Systematic Name English
ACETIC ACID, 2-((6,7-DIHYDRO-7-THIOXO-1H-IMIDAZO(4,5-D)PYRIDAZIN-4-YL)THIO)-
Systematic Name English
ACETIC ACID, ((7-MERCAPTO-1H-IMIDAZO(4,5-D)PYRIDAZIN-4-YL)THIO)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10955931
Created by admin on Wed Apr 02 06:28:24 GMT 2025 , Edited by admin on Wed Apr 02 06:28:24 GMT 2025
PRIMARY
FDA UNII
CL7R0UW72U
Created by admin on Wed Apr 02 06:28:24 GMT 2025 , Edited by admin on Wed Apr 02 06:28:24 GMT 2025
PRIMARY
PUBCHEM
135429815
Created by admin on Wed Apr 02 06:28:24 GMT 2025 , Edited by admin on Wed Apr 02 06:28:24 GMT 2025
PRIMARY
NSC
64812
Created by admin on Wed Apr 02 06:28:24 GMT 2025 , Edited by admin on Wed Apr 02 06:28:24 GMT 2025
PRIMARY
CAS
3438-83-3
Created by admin on Wed Apr 02 06:28:24 GMT 2025 , Edited by admin on Wed Apr 02 06:28:24 GMT 2025
PRIMARY