Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8J18RM395U
EPA CompTox DTXSID40231614

Structure

InChI Key AROCLDYPZXMJPW-UHFFFAOYSA-N
Smiles CCCCCCCCSSCCCCCCCC
InChI
InChI=1S/C16H34S2/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H34S2
Molecular Weight 290.21
AlogP 7.09
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 15.0
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 822-27-5
NORMAN SUSDAT
FDA SRS 8J18RM395U
PubChem 69970
ChemSpider 63162.0