Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6L2NH5HQZ8
EPA CompTox DTXSID2070895

Structure

InChI Key QMVFFYYZJNQAHP-UHFFFAOYSA-N
Smiles COC(=O)N1C(=O)CSC1=S
InChI
InChI=1S/C5H5NO3S2/c1-9-4(8)6-3(7)2-11-5(6)10/h2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5N1O3S2
Molecular Weight 190.97
AlogP 0.61
Hydrogen Bond Acceptor 5.0
Polar Surface Area 46.61
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 67952-25-4
NORMAN SUSDAT
FDA SRS 6L2NH5HQZ8
PubChem 106203
ChemSpider 95655.0