Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0XDI7Q3QL3
EPA CompTox DTXSID30222733

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14S2
Molecular Weight 150.05
AlogP 3.04
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 72437-56-0
NORMAN SUSDAT
FDA SRS 0XDI7Q3QL3