Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key CPIDOTOQIGMWNA-UHFFFAOYSA-N
Smiles CC1=CNC(=S)NC1=O
InChI
InChI=1S/C5H6N2OS/c1-3-2-6-5(9)7-4(3)8/h2-3H,1H3,(H,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6N2O1S1
Molecular Weight 142.02
AlogP 0.95
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 44.95
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 636-26-0
NORMAN SUSDAT