Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60188510

Structure

InChI Key OGTZMPFMCIZSIB-UHFFFAOYSA-N
Smiles CCC(C)(C)SSC(C)(C)CC
InChI
InChI=1S/C10H22S2/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22S2
Molecular Weight 206.12
AlogP 4.75
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 34965-30-5
NORMAN SUSDAT
PubChem 118758
ChemSpider 106125.0