Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9H154DI0UP
EPA CompTox DTXSID6025309

Structure

InChI Key PLUBXMRUUVWRLT-UHFFFAOYSA-N
Smiles CCOS(=O)(=O)C
InChI
InChI=1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8O3S1
Molecular Weight 124.02
AlogP -0.02
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 43.37
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 62-50-0
NORMAN SUSDAT
FDA SRS 9H154DI0UP
PubChem 6113
ChemSpider 5887.0