Base information
| Cat. No. | |
| CAS No. | 67808-33-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H5NO2S |
| Molecular Weight | 167.185 |
| Exact Mass | 167.004 |
| XLogP3 | 1.40638 |
| Mr | 40.3135 |
| PSA | 78.33 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc(cs1)C#N |
