| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3XYV4I47I8 |
| EPA CompTox | DTXSID3044382 |
Structure
| InChI Key | BKAWJIRCKVUVED-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H9N1O1S1 |
| Molecular Weight | 143.04 |
| AlogP | 0.99 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 33.12 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 137-00-8 |
| NORMAN SUSDAT | |
| FDA SRS | 3XYV4I47I8 |
| PubChem | 1136 |
| ChemSpider | 1104.0 |
CONTENTS
