Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JE3PR84J0B
EPA CompTox DTXSID40862826

Structure

InChI Key BFLXFRNPNMTTAA-UHFFFAOYSA-N
Smiles SC(C)C(C)C
InChI
InChI=1/C5H12S/c1-4(2)5(3)6/h4-6H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12S
Molecular Weight 104.07
AlogP 1.96
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 2084-18-6
NORMAN SUSDAT
FDA SRS JE3PR84J0B
PubChem 519823