Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U3RP5I088G
EPA CompTox DTXSID40189348

Structure

InChI Key UWSONZCNXUSTKW-UHFFFAOYSA-N
Smiles Cc1c(C)ncs1
InChI
InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7N1S1
Molecular Weight 113.03
AlogP 1.76
Hydrogen Bond Acceptor 2.0
Polar Surface Area 12.89
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 3581-91-7
NORMAN SUSDAT
FDA SRS U3RP5I088G
PubChem 62510
ChemSpider 56286.0