Base information
| Cat. No. | |
| CAS No. | 196309-76-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H15NO2S |
| Molecular Weight | 249.329 |
| Exact Mass | 249.082 |
| XLogP3 | 3.87588 |
| Mr | 67.695 |
| PSA | 66.31 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 32 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#C/C=C/S(=O)(=O)c1ccc(cc1)C(C)(C)C |
