HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(Methylsulfonyl)isonicotinamide
Identifiers & Physical Properties
| CAS No. | 1820707-92-3 |
|---|---|
| Molecular formula | C7H8N2O3S |
| Average molar mass | 200.22 g/mol |
| Monoisotopic mass | 200.0255633 g/mol |
| SMILES | CS(=O)(=O)c1cc(C(N)=O)ccn1 |
| InChIKey | MVLQDOUUZWWRRP-UHFFFAOYSA-N |
| PubChem CID | 68520460 |
| DTXSID | DTXSID001265613 |
Chemical & Physical Properties
| XLogP | -0.7 |
|---|---|
| Topological polar surface area | 98.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 293 |