Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QN58WY5942
EPA CompTox DTXSID5070577

Structure

InChI Key QXJSYAFLDDZIQI-UHFFFAOYSA-N
Smiles CCCCOC(=O)CSC
InChI
InChI=1S/C7H14O2S/c1-3-4-5-9-7(8)6-10-2/h3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14O2S1
Molecular Weight 162.07
AlogP 1.69
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 26.3
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 67746-25-2
NORMAN SUSDAT
FDA SRS QN58WY5942
PubChem 105572
ChemSpider 95195.0