Keyword(s): Human Metabolites
Molecule Category Free-form
UNII A2H8YRB236
EPA CompTox DTXSID7059727

Structure

InChI Key VTXVGVNLYGSIAR-UHFFFAOYSA-N
Smiles CCCCCCCCCCS
InChI
InChI=1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22S1
Molecular Weight 174.14
AlogP 4.06
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 143-10-2
NORMAN SUSDAT
FDA SRS A2H8YRB236
PubChem 8917
ChemSpider 75984.0