Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 42KLQ911HT
EPA CompTox DTXSID4064761

Structure

InChI Key UPCYEFFISUGBRW-UHFFFAOYSA-N
Smiles CCN1C(=O)CSC1=S
InChI
InChI=1S/C5H7NOS2/c1-2-6-4(7)3-9-5(6)8/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7N1O1S2
Molecular Weight 161.0
AlogP 0.87
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 20.31
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 7648-01-3
NORMAN SUSDAT
FDA SRS 42KLQ911HT
PubChem 82098
ChemSpider 22389.0