Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SP355V2BWY
EPA CompTox DTXSID8061006

Structure

InChI Key RKYMVQJWYYOIJB-UHFFFAOYSA-N
Smiles CCCCCCCCCCSCCCCCCCCCC
InChI
InChI=1S/C20H42S/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H42S1
Molecular Weight 314.3
AlogP 8.0
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 18.0
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 693-83-4
NORMAN SUSDAT
FDA SRS SP355V2BWY
PubChem 69662
ChemSpider 62863.0