Keyword(s): Human Metabolites
Molecule Category Free-form
UNII X5X7DY36KA
EPA CompTox DTXSID60146872

Structure

InChI Key GJPDBURPGLWRPW-UHFFFAOYSA-N
Smiles CCCCCCSSCCCCCC
InChI
InChI=1S/C12H26S2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H26S2
Molecular Weight 234.15
AlogP 5.53
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 11.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 10496-15-8
NORMAN SUSDAT
FDA SRS X5X7DY36KA
PubChem 82675
ChemSpider 74608.0