Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KWB0X6Z9EG
EPA CompTox DTXSID1062594

Structure

InChI Key LOXRGHGHQYWXJK-UHFFFAOYSA-N
Smiles CCCCCCCCSCCCCCCCC
InChI
InChI=1S/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H34S1
Molecular Weight 258.24
AlogP 6.44
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 14.0
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 2690-08-6
NORMAN SUSDAT
FDA SRS KWB0X6Z9EG
PubChem 75901
ChemSpider 68406.0