| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | U0ST94Z07Y |
| EPA CompTox | DTXSID60210325 |
| InChI Key | JYKYYPPZLPVIBY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N1S1 |
| Molecular Weight | 149.03 |
| AlogP | 2.73 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.36 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 614-69-7 |
| NORMAN SUSDAT | |
| FDA SRS | U0ST94Z07Y |
| PubChem | 69195 |
| ChemSpider | 62409.0 |