Keyword(s): Human Metabolites
Molecule Category Free-form
UNII V2ULM5QWG5
EPA CompTox DTXSID20146873

Structure

InChI Key IFGAFLQUAVLERP-UHFFFAOYSA-N
Smiles CCCCCCCSSCCCCCCC
InChI
InChI=1S/C14H30S2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-14H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H30S2
Molecular Weight 262.18
AlogP 6.31
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 13.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 10496-16-9
NORMAN SUSDAT
FDA SRS V2ULM5QWG5
PubChem 82676
ChemSpider 74609.0