| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S9AZV4ZW59 |
| EPA CompTox | DTXSID50163871 |
| InChI Key | QDQRBNVXOJWPIJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C4H4N6S2 |
| Molecular Weight | 199.99 |
| AlogP | 0.72 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 83.14 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 14804-01-4 |
| NORMAN SUSDAT | |
| FDA SRS | S9AZV4ZW59 |
| PubChem | 84653 |
| ChemSpider | 76366.0 |