Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 07DT8QJ745
EPA CompTox DTXSID0022226

Structure

InChI Key DCXDVGKTBDNYRX-UHFFFAOYSA-N
Smiles CCSCCSCC
InChI
InChI=1S/C6H14S2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14S2
Molecular Weight 150.05
AlogP 2.49
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 5395-75-5
NORMAN SUSDAT
FDA SRS 07DT8QJ745
PubChem 79375
ChemSpider 71694.0