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

Structure

InChI Key BIYQABXZPGYWIZ-UHFFFAOYSA-N
Smiles CCCCCCCCSSCCl
InChI
InChI=1S/C9H19ClS2/c1-2-3-4-5-6-7-8-11-12-9-10/h2-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H19Cl1S2
Molecular Weight 226.06
AlogP 4.92
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 9.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 180128-56-7
NORMAN SUSDAT
PubChem 11206914
ChemSpider 9381976.0