Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50184061

Structure

InChI Key ZIMCZOLRXKPXLN-UHFFFAOYSA-N
Smiles CC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)C
InChI
InChI=1S/C16H34S2/c1-13(2,3)11-15(7,8)17-18-16(9,10)12-14(4,5)6/h11-12H2,1-10H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H34S2
Molecular Weight 290.21
AlogP 6.8
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 29956-99-8
NORMAN SUSDAT
PubChem 121601
ChemSpider 108505.0