| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Y19G61H3JY |
| EPA CompTox | DTXSID4060860 |
Structure
| InChI Key | HXNXAEYAXNPLHJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9N1S1 |
| Molecular Weight | 115.05 |
| AlogP | 2.0 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 628-83-1 |
| NORMAN SUSDAT | |
| FDA SRS | Y19G61H3JY |
| PubChem | 12357 |
| ChemSpider | 11851.0 |
CONTENTS
