| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 13O98H1EW1 |
| EPA CompTox | DTXSID30187494 |
| InChI Key | SKIHGKNFJKJXPX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C5H7N1S1 |
| Molecular Weight | 113.03 |
| AlogP | 1.67 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 12.36 |
| Heavy Atoms | 7.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 3386-97-8 |
| NORMAN SUSDAT | |
| FDA SRS | 13O98H1EW1 |
| PubChem | 76922 |
| ChemSpider | 69373.0 |