Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0906Z2356U
EPA CompTox DTXSID8062739

Structure

InChI Key XYONNSVDNIRXKZ-UHFFFAOYSA-N
Smiles CSS(=O)(=O)C
InChI
InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H6O2S2
Molecular Weight 125.98
AlogP 0.31
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 34.14
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 2949-92-0
NORMAN SUSDAT
FDA SRS 0906Z2356U
PubChem 18064
ChemSpider 17065.0