Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4FK48S87VH
EPA CompTox DTXSID3041958

Structure

InChI Key ZDDDFDQTSXYYSE-UHFFFAOYSA-N
Smiles CCCSCC
InChI
InChI=1S/C5H12S/c1-3-5-6-4-2/h3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12S1
Molecular Weight 104.07
AlogP 2.15
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 4110-50-3
NORMAN SUSDAT
FDA SRS 4FK48S87VH
PubChem 20063
ChemSpider 18902.0