Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6E715F929W
EPA CompTox DTXSID5060807

Structure

InChI Key APTGPWJUOYMUCE-UHFFFAOYSA-N
Smiles CCSC(=O)C
InChI
InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8O1S1
Molecular Weight 104.03
AlogP 1.29
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 625-60-5
NORMAN SUSDAT
FDA SRS 6E715F929W
PubChem 61171
ChemSpider 55117.0