| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6U7TFK75KV |
| EPA CompTox | DTXSID5021120 |
Structure
| InChI Key | IZJDOKYDEWTZSO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9N1S1 |
| Molecular Weight | 163.05 |
| AlogP | 2.33 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 12.36 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2257-09-2 |
| NORMAN SUSDAT | |
| FDA SRS | 6U7TFK75KV |
| PubChem | 16741 |
| ChemSpider | 15870.0 |
CONTENTS
