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Details

Stereochemistry ACHIRAL
Molecular Formula C6H4N4S
Molecular Weight 164.188
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Amino-5-mercapto-1H-pyrrole-3,4-dicarbonitrile

SMILES

NC1=C(C#N)C(C#N)=C(S)N1

InChI

InChIKey=HLINPQAZILSIPY-UHFFFAOYSA-N
InChI=1S/C6H4N4S/c7-1-3-4(2-8)6(11)10-5(3)9/h10-11H,9H2

HIDE SMILES / InChI

Molecular Formula C6H4N4S
Molecular Weight 164.188
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 19:40:37 GMT 2025
Edited
by admin
on Tue Apr 01 19:40:37 GMT 2025
Record UNII
C6W63688JS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-87089
Preferred Name English
2-Amino-5-mercapto-1H-pyrrole-3,4-dicarbonitrile
Systematic Name English
1H-Pyrrole-3,4-dicarbonitrile, 2-amino-5-mercapto-
Systematic Name English
Pyrrole-3,4-dicarbonitrile, 2-amino-5-mercapto-
Systematic Name English
2-Amino-5-sulfanyl-1H-pyrrole-3,4-dicarbonitrile
Systematic Name English
Code System Code Type Description
NSC
87089
Created by admin on Tue Apr 01 19:40:37 GMT 2025 , Edited by admin on Tue Apr 01 19:40:37 GMT 2025
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PUBCHEM
258298
Created by admin on Tue Apr 01 19:40:37 GMT 2025 , Edited by admin on Tue Apr 01 19:40:37 GMT 2025
PRIMARY
CAS
16754-97-5
Created by admin on Tue Apr 01 19:40:37 GMT 2025 , Edited by admin on Tue Apr 01 19:40:37 GMT 2025
PRIMARY
FDA UNII
C6W63688JS
Created by admin on Tue Apr 01 19:40:37 GMT 2025 , Edited by admin on Tue Apr 01 19:40:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID90168305
Created by admin on Tue Apr 01 19:40:37 GMT 2025 , Edited by admin on Tue Apr 01 19:40:37 GMT 2025
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