| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PB9B741VC3 |
| EPA CompTox | DTXSID6062127 |
| InChI Key | SJIIDWBFRZACDQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H7N1S1 |
| Molecular Weight | 125.03 |
| AlogP | 1.51 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.89 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2044-73-7 |
| NORMAN SUSDAT | |
| FDA SRS | PB9B741VC3 |
| PubChem | 256071 |
| ChemSpider | 224560.0 |