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

Structure

InChI Key IEBAOPMEYUWQPD-UHFFFAOYSA-N
Smiles S(C(C)CC)C(C)CC
InChI
InChI=1/C8H18S/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18S
Molecular Weight 146.11
AlogP 3.32
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 626-26-6
NORMAN SUSDAT
PubChem 522065