Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 547878JR6J
EPA CompTox DTXSID50213901

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14S2
Molecular Weight 150.05
AlogP 3.19
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 63986-03-8
NORMAN SUSDAT
FDA SRS 547878JR6J