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Details

Stereochemistry ACHIRAL
Molecular Formula C6H8N2O2S
Molecular Weight 172.205
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-ETHYL-2-THIOBARBITURIC ACID

SMILES

CCC1C(=O)NC(=S)NC1=O

InChI

InChIKey=BILGEDJBYOAIMI-UHFFFAOYSA-N
InChI=1S/C6H8N2O2S/c1-2-3-4(9)7-6(11)8-5(3)10/h3H,2H2,1H3,(H2,7,8,9,10,11)

HIDE SMILES / InChI

Molecular Formula C6H8N2O2S
Molecular Weight 172.205
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 19:11:15 GMT 2025
Edited
by admin
on Tue Apr 01 19:11:15 GMT 2025
Record UNII
3778W2S49S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,6(1H,5H)-PYRIMIDINEDIONE, 5-ETHYLDIHYDRO-2-THIOXO-
Preferred Name English
5-ETHYL-2-THIOBARBITURIC ACID
Common Name English
5-ETHYLDIHYDRO-2-THIOXO-4,6(1H,5H)-PYRIMIDINEDIONE (ACI)
Systematic Name English
5-ETHYLDIHYDRO-2-THIOXOPYRIMIDINE-4,6(1H,5H)-DIONE
Systematic Name English
BARBITURIC ACID, 5-ETHYL-2-THIO-
Common Name English
Code System Code Type Description
PUBCHEM
1540619
Created by admin on Tue Apr 01 19:11:15 GMT 2025 , Edited by admin on Tue Apr 01 19:11:15 GMT 2025
PRIMARY
ECHA (EC/EINECS)
255-636-3
Created by admin on Tue Apr 01 19:11:15 GMT 2025 , Edited by admin on Tue Apr 01 19:11:15 GMT 2025
PRIMARY
CAS
42039-81-6
Created by admin on Tue Apr 01 19:11:15 GMT 2025 , Edited by admin on Tue Apr 01 19:11:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID0068363
Created by admin on Tue Apr 01 19:11:15 GMT 2025 , Edited by admin on Tue Apr 01 19:11:15 GMT 2025
PRIMARY
FDA UNII
3778W2S49S
Created by admin on Tue Apr 01 19:11:15 GMT 2025 , Edited by admin on Tue Apr 01 19:11:15 GMT 2025
PRIMARY