| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KC93L8EUY7 |
| EPA CompTox | DTXSID70217562 |
Structure
| InChI Key | KBTDRFBLCRALTE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H24O2S1 |
| Molecular Weight | 232.15 |
| AlogP | 3.6 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 67231-93-0 |
| NORMAN SUSDAT | |
| FDA SRS | KC93L8EUY7 |
| PubChem | 105402 |
| ChemSpider | 95063.0 |
CONTENTS
