Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80994716

Structure

InChI Key AAKKPKDORDWLSG-UHFFFAOYSA-N
Smiles SC(C)(CC)CCC
InChI
InChI=1/C7H16S/c1-4-6-7(3,8)5-2/h8H,4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H16S
Molecular Weight 132.1
AlogP 2.89
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 73775-71-0
NORMAN SUSDAT
PubChem 3018462