Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9FM2V7QR4Z
EPA CompTox DTXSID70199430

Structure

InChI Key NZUQQADVSXWVNW-UHFFFAOYSA-N
Smiles CCSC(C)C
InChI
InChI=1S/C5H12S/c1-4-6-5(2)3/h5H,4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12S1
Molecular Weight 104.07
AlogP 2.15
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 5145-99-3
NORMAN SUSDAT
FDA SRS 9FM2V7QR4Z
PubChem 21228
ChemSpider 19957.0