Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2N5IMB9XAP
EPA CompTox DTXSID0060852

Structure

InChI Key WCXXISMIJBRDQK-UHFFFAOYSA-N
Smiles CCCCSC
InChI
InChI=1S/C5H12S/c1-3-4-5-6-2/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 628-29-5
NORMAN SUSDAT
FDA SRS 2N5IMB9XAP
PubChem 12339
ChemSpider 11834.0