Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9FOJ4L7GGN
EPA CompTox DTXSID3064986

Structure

InChI Key IULFXBLVJIPESI-UHFFFAOYSA-N
Smiles CSC(SC)=NC#N
InChI
InChI=1S/C4H6N2S2/c1-7-4(8-2)6-3-5/h1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6N2S2
Molecular Weight 146.0
AlogP 1.55
Hydrogen Bond Acceptor 4.0
Polar Surface Area 36.15
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 10191-60-3
NORMAN SUSDAT
FDA SRS 9FOJ4L7GGN
PubChem 66289
ChemSpider 59668.0