Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70187473

Structure

InChI Key BFTGQIQVUVTBJU-UHFFFAOYSA-N
Smiles S=C1SSC2=NCCN12
InChI
InChI=1S/C4H4N2S3/c7-4-6-2-1-5-3(6)8-9-4/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4N2S3
Molecular Weight 175.95
AlogP 1.34
Hydrogen Bond Acceptor 4.0
Polar Surface Area 15.6
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 33813-20-6
NORMAN SUSDAT
PubChem 36603
ChemSpider 33633.0