Base information
| Cat. No. | |
| CAS No. | 89942-56-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NO2S |
| Molecular Weight | 181.212 |
| Exact Mass | 181.02 |
| XLogP3 | 2.04258 |
| Mr | 44.251 |
| PSA | 66.31 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccccc1S(=O)(=O)C |
