| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | W89RAU9XR5 |
| EPA CompTox | DTXSID20201355 |
| InChI Key | GTFMIJNXNMDHAB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N1O1S1 |
| Molecular Weight | 165.02 |
| AlogP | 2.38 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 32.59 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5325-20-2 |
| NORMAN SUSDAT | |
| FDA SRS | W89RAU9XR5 |
| PubChem | 21396 |
| ChemSpider | 20108.0 |