| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80234346 |
| InChI Key | BDNFWMHPTDPFIT-BYPYZUCNSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H9N1O2S1 |
| Molecular Weight | 159.04 |
| AlogP | 0.65 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 38.66 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 85178-37-6 |
| NORMAN SUSDAT | |
| PubChem | 14410373 |
| ChemSpider | 21164709.0 |