Keyword(s): Human Metabolites
Molecule Category Free-form
UNII X8S174990R
EPA CompTox DTXSID5027300

Structure

InChI Key QMHIMXFNBOYPND-UHFFFAOYSA-N
Smiles Cc1cscn1
InChI
InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5N1S1
Molecular Weight 99.01
AlogP 1.45
Hydrogen Bond Acceptor 2.0
Polar Surface Area 12.89
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 693-95-8
NORMAN SUSDAT
FDA SRS X8S174990R
PubChem 12748
ChemSpider 12224.0