Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0P85C3FTE3
EPA CompTox DTXSID80197189

Structure

InChI Key JWCVYQRPINPYQJ-UHFFFAOYSA-N
Smiles C1CCCSCC1
InChI
InChI=1S/C6H12S/c1-2-4-6-7-5-3-1/h1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12S1
Molecular Weight 116.07
AlogP 2.29
Hydrogen Bond Acceptor 1.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 4753-80-4
NORMAN SUSDAT
FDA SRS 0P85C3FTE3
PubChem 78493
ChemSpider 70858.0