| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XJZ2D15FXC |
| EPA CompTox | DTXSID9061706 |
| InChI Key | DVRWEKGUWZINTQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H7N1O1S2 |
| Molecular Weight | 209.0 |
| AlogP | 2.05 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.31 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1457-46-1 |
| NORMAN SUSDAT | |
| FDA SRS | XJZ2D15FXC |
| PubChem | 73822 |
| ChemSpider | 66456.0 |