Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70992165

Structure

InChI Key DFXBBTTUNWKCBF-UHFFFAOYSA-N
Smiles S(CC)CC(CC)CCCC
InChI
InChI=1/C10H22S/c1-4-7-8-10(5-2)9-11-6-3/h10H,4-9H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22S
Molecular Weight 174.14
AlogP 3.96
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 7.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 71607-39-1
NORMAN SUSDAT
PubChem 3018181