| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90168764 |
Structure
| InChI Key | VBLYWGDAYORRDM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9N1S1 |
| Molecular Weight | 115.05 |
| AlogP | 1.54 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.36 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16982-46-0 |
| NORMAN SUSDAT | |
| PubChem | 86896 |
| ChemSpider | 78393.0 |
CONTENTS
