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Details

Stereochemistry ACHIRAL
Molecular Formula C4H4N2S3
Molecular Weight 176.283
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,6-TRITHIOBARBITURIC ACID

SMILES

S=C1CC(=S)NC(=S)N1

InChI

InChIKey=JQZIUMORZWKSFS-UHFFFAOYSA-N
InChI=1S/C4H4N2S3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)

HIDE SMILES / InChI

Molecular Formula C4H4N2S3
Molecular Weight 176.283
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 19:43:44 GMT 2025
Edited
by admin
on Tue Apr 01 19:43:44 GMT 2025
Record UNII
RR47U796LU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4,6(1H,3H,5H)-PYRIMIDINETRITHIONE
Preferred Name English
2,4,6-TRITHIOBARBITURIC ACID
Common Name English
NSC-42030
Code English
Code System Code Type Description
NSC
42030
Created by admin on Tue Apr 01 19:43:44 GMT 2025 , Edited by admin on Tue Apr 01 19:43:44 GMT 2025
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EPA CompTox
DTXSID80212407
Created by admin on Tue Apr 01 19:43:44 GMT 2025 , Edited by admin on Tue Apr 01 19:43:44 GMT 2025
PRIMARY
FDA UNII
RR47U796LU
Created by admin on Tue Apr 01 19:43:44 GMT 2025 , Edited by admin on Tue Apr 01 19:43:44 GMT 2025
PRIMARY
CAS
6308-40-3
Created by admin on Tue Apr 01 19:43:44 GMT 2025 , Edited by admin on Tue Apr 01 19:43:44 GMT 2025
PRIMARY
PUBCHEM
3003762
Created by admin on Tue Apr 01 19:43:44 GMT 2025 , Edited by admin on Tue Apr 01 19:43:44 GMT 2025
PRIMARY