Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 95GL0I9Q62
EPA CompTox DTXSID70146843

Structure

InChI Key VHXDADVHQVXSKC-UHFFFAOYSA-N
Smiles COCCS
InChI
InChI=1S/C3H8OS/c1-4-2-3-5/h5H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8O1S1
Molecular Weight 92.03
AlogP 0.56
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 10494-75-4
NORMAN SUSDAT
FDA SRS 95GL0I9Q62
PubChem 3014644
ChemSpider 2282989.0