Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XEU4PMA835
EPA CompTox DTXSID4057978

Structure

InChI Key FVCPXLWAKNJIKK-UHFFFAOYSA-N
Smiles COC(=S)SSC(=S)OC
InChI
InChI=1S/C4H6O2S4/c1-5-3(7)9-10-4(8)6-2/h1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O2S4
Molecular Weight 213.93
AlogP 2.23
Hydrogen Bond Acceptor 6.0
Polar Surface Area 18.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1468-37-7
NORMAN SUSDAT
FDA SRS XEU4PMA835
PubChem 15115
ChemSpider 14387.0