Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 25IZE8ZJA2
EPA CompTox DTXSID10866371

Structure

InChI Key SNWKNPMDQONHKK-UHFFFAOYSA-N
Smiles O=C(OC)C(S)C
InChI
InChI=1/C4H8O2S/c1-3(7)4(5)6-2/h3,7H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8O2S
Molecular Weight 120.02
AlogP 0.48
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 53907-46-3
NORMAN SUSDAT
FDA SRS 25IZE8ZJA2
PubChem 103858