Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T8MXD3T7ZZ
EPA CompTox DTXSID40212281

Structure

InChI Key QMWSBGCIPZEDPP-UHFFFAOYSA-N
Smiles CN1CSCSC1
InChI
InChI=1S/C4H9NS2/c1-5-2-6-4-7-3-5/h2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9N1S2
Molecular Weight 135.02
AlogP 1.27
Hydrogen Bond Acceptor 3.0
Polar Surface Area 3.24
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 6302-94-9
NORMAN SUSDAT
FDA SRS T8MXD3T7ZZ
PubChem 80549
ChemSpider 72742.0