Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ES6A12WT0E
EPA CompTox DTXSID50222735

Structure

InChI Key VDJXDNLYBDHPHP-UHFFFAOYSA-N
Smiles CCCCCSSC
InChI
InChI=1S/C6H14S2/c1-3-4-5-6-8-7-2/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 72437-68-4
NORMAN SUSDAT
FDA SRS ES6A12WT0E