Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 667X5M356L
EPA CompTox DTXSID40147948

Structure

InChI Key OVRJVKCZJCNSOW-UHFFFAOYSA-N
Smiles O=C1CCSCC1
InChI
InChI=1S/C5H8OS/c6-5-1-3-7-4-2-5/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8O1S1
Molecular Weight 116.03
AlogP 1.08
Hydrogen Bond Acceptor 2.0
Polar Surface Area 17.07
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1072-72-6
NORMAN SUSDAT
FDA SRS 667X5M356L
PubChem 66173
ChemSpider 59560.0