Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID9064976

Structure

InChI Key NVLPQIPTCCLBEU-UHFFFAOYSA-N
Smiles CSCC=C
InChI
InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8S1
Molecular Weight 88.03
AlogP 1.54
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 10152-76-8
NORMAN SUSDAT
PubChem 66282
ChemSpider 59660.0