Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10187351

Structure

InChI Key YCBVTHJPQCNICU-UHFFFAOYSA-N
Smiles CCCSSC(C)C
InChI
InChI=1S/C6H14S2/c1-4-5-7-8-6(2)3/h6H,4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14S2
Molecular Weight 150.05
AlogP 3.19
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 33672-51-4
NORMAN SUSDAT
PubChem 118529
ChemSpider 105938.0