| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1IZ2H82NWU |
| EPA CompTox | DTXSID7027461 |
Structure
| InChI Key | LJTFFORYSFGNCT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C1H6N4S1 |
| Molecular Weight | 106.03 |
| AlogP | -1.39 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 4.0 |
| Polar Surface Area | 76.43 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2231-57-4 |
| NORMAN SUSDAT | |
| FDA SRS | 1IZ2H82NWU |
| PubChem | 2724189 |
| ChemSpider | 2006346.0 |
CONTENTS
