Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 320RCW8PEF
EPA CompTox DTXSID2059776

Structure

InChI Key FZWLAAWBMGSTSO-UHFFFAOYSA-N
Smiles S1C=CN=C1
InChI
InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3N1S1
Molecular Weight 85.0
AlogP 1.14
Hydrogen Bond Acceptor 2.0
Polar Surface Area 12.89
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 288-47-1
NORMAN SUSDAT
FDA SRS 320RCW8PEF
PubChem 9256
ChemSpider 8899.0