| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X3XTQ4YUR3 |
| EPA CompTox | DTXSID4062723 |
| InChI Key | SAQMNBWVOKYKPZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9N1O1S1 |
| Molecular Weight | 179.04 |
| AlogP | 2.61 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 22.12 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2941-69-7 |
| NORMAN SUSDAT | |
| FDA SRS | X3XTQ4YUR3 |
| PubChem | 76252 |
| ChemSpider | 68731.0 |