Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70213286

Structure

InChI Key FJDWJOQOEZRIDJ-UHFFFAOYSA-N
Smiles CCCCCCCSC
InChI
InChI=1S/C8H18S/c1-3-4-5-6-7-8-9-2/h3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18S1
Molecular Weight 146.11
AlogP 3.32
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 6.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 63834-87-7
NORMAN SUSDAT
PubChem 44824
ChemSpider 7852.0