Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M2N6KV7ZBD
EPA CompTox DTXSID40198036

Structure

InChI Key JLURSSXMQSLZQL-UHFFFAOYSA-N
Smiles CCOC(=O)C(C)(C)SC
InChI
InChI=1S/C7H14O2S/c1-5-9-6(8)7(2,3)10-4/h5H2,1-4H3

Physicochemical Descriptors

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

Cross References

Resources Reference
CAS NUMBER 49773-24-2
NORMAN SUSDAT
FDA SRS M2N6KV7ZBD
PubChem 3016499
ChemSpider 2284436.0