| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X8S174990R |
| EPA CompTox | DTXSID5027300 |
| InChI Key | QMHIMXFNBOYPND-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C4H5N1S1 |
| Molecular Weight | 99.01 |
| AlogP | 1.45 |
| Hydrogen Bond Acceptor | 2.0 |
| Polar Surface Area | 12.89 |
| Heavy Atoms | 6.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 693-95-8 |
| NORMAN SUSDAT | |
| FDA SRS | X8S174990R |
| PubChem | 12748 |
| ChemSpider | 12224.0 |