Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BP550P623A
EPA CompTox DTXSID6022216

Structure

InChI Key LZAZXBXPKRULLB-UHFFFAOYSA-N
Smiles CC(C)SSC(C)C
InChI
InChI=1S/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14S2
Molecular Weight 150.05
AlogP 3.18
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 4253-89-8
NORMAN SUSDAT
FDA SRS BP550P623A
PubChem 77932
ChemSpider 70322.0