| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 871J6YOR8Q |
| EPA CompTox | DTXSID0020155 |
| InChI Key | MDKCFLQDBWCQCV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N1S1 |
| Molecular Weight | 149.03 |
| AlogP | 2.29 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 12.36 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 622-78-6 |
| NORMAN SUSDAT | |
| FDA SRS | 871J6YOR8Q |
| PubChem | 2346 |
| ChemSpider | 2256.0 |