Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E57JT172V7
EPA CompTox DTXSID9074935

Structure

InChI Key MGIYRDNGCNKGJU-UHFFFAOYSA-N
Smiles O=C1NSC=C1
InChI
InChI=1S/C3H3NOS/c5-3-1-2-6-4-3/h1-2H,(H,4,5)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3N1O1S1
Molecular Weight 100.99
AlogP 0.85
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 33.12
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 1003-07-2
NORMAN SUSDAT
FDA SRS E57JT172V7
PubChem 96917
ChemSpider 87509.0