Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CP2PH1A61R
EPA CompTox DTXSID2060121

Structure

InChI Key UGWULZWUXSCWPX-UHFFFAOYSA-N
Smiles O=C1CNC(=S)N1
InChI
InChI=1S/C3H4N2OS/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4N2O1S1
Molecular Weight 116.0
AlogP 0.24
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 44.95
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 503-87-7
NORMAN SUSDAT
FDA SRS CP2PH1A61R
PubChem 1274030
ChemSpider 1069421.0