Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4FQ8084070
EPA CompTox DTXSID50208155

Structure

InChI Key WUZSBMCRYUJOEU-UHFFFAOYSA-N
Smiles S(SC(C)C)SC(C)C
InChI
InChI=1/C6H14S3/c1-5(2)7-9-8-6(3)4/h5-6H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14S3
Molecular Weight 182.03
AlogP 3.83
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 5943-34-0
NORMAN SUSDAT
FDA SRS 4FQ8084070
PubChem 80046