| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 11D9715VB7 |
| EPA CompTox | DTXSID3061057 |
| InChI Key | MERLDGDYUMSLAY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H12N2S2 |
| Molecular Weight | 248.04 |
| AlogP | 3.65 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.04 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 722-27-0 |
| NORMAN SUSDAT | |
| FDA SRS | 11D9715VB7 |
| PubChem | 12875 |
| ChemSpider | 12344.0 |