Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9M6NKT0B5H
EPA CompTox DTXSID4031770

Structure

InChI Key DKORSYDQYFVQNS-UHFFFAOYSA-N
Smiles CCCOS(=O)(=O)C
InChI
InChI=1S/C4H10O3S/c1-3-4-7-8(2,5)6/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10O3S1
Molecular Weight 138.04
AlogP 0.37
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 43.37
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1912-31-8
NORMAN SUSDAT
FDA SRS 9M6NKT0B5H
PubChem 74705
ChemSpider 67278.0