Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 55I23VY6IE
EPA CompTox DTXSID5060304

Structure

InChI Key VYHVQEYOFIYNJP-UHFFFAOYSA-N
Smiles CSC#N
InChI
InChI=1S/C2H3NS/c1-4-2-3/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H3N1S1
Molecular Weight 73.0
AlogP 0.83
Hydrogen Bond Acceptor 2.0
Polar Surface Area 23.79
Heavy Atoms 4.0

Cross References

Resources Reference
CAS NUMBER 556-64-9
NORMAN SUSDAT
FDA SRS 55I23VY6IE
PubChem 11168
ChemSpider 10695.0