Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60176977

Structure

InChI Key HKGUUZAACYBIID-UHFFFAOYSA-N
Smiles CCCCCCCCCCSC
InChI
InChI=1S/C11H24S/c1-3-4-5-6-7-8-9-10-11-12-2/h3-11H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H24S1
Molecular Weight 188.16
AlogP 4.49
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 9.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 22438-39-7
NORMAN SUSDAT
PubChem 89712
ChemSpider 80404.0