| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID9071848 |
Structure
| InChI Key | VVOWYIAEEPWSHY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8O2S1 |
| Molecular Weight | 156.02 |
| AlogP | 1.96 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 30.21 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68922-06-5 |
| NORMAN SUSDAT | |
| PubChem | 111781 |
| ChemSpider | 75306.0 |
CONTENTS
