Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80229111

Structure

InChI Key KTCNKXGSWSEDQX-UHFFFAOYSA-N
Smiles O=c1[nH]c(=O)sc(=S)[nH]1
InChI
InChI=1S/C3H2N2O2S2/c6-1-4-2(7)9-3(8)5-1/h(H2,4,5,6,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H2N2O2S2
Molecular Weight 161.96
AlogP -0.11
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Polar Surface Area 63.08
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 78476-44-5
NORMAN SUSDAT
PubChem 11970650
ChemSpider 10144033.0