Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FDG262156U
EPA CompTox DTXSID00200907

Structure

InChI Key GYDPOKGOQFTYGW-UHFFFAOYSA-N
Smiles CC(=CCS)C
InChI
InChI=1S/C5H10S/c1-5(2)3-4-6/h3,6H,4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10S1
Molecular Weight 102.05
AlogP 1.88
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 5287-45-6
NORMAN SUSDAT
FDA SRS FDG262156U
PubChem 146586
ChemSpider 129292.0