Base information
| Cat. No. | |
| CAS No. | 7117-31-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NO3S |
| Molecular Weight | 211.238 |
| Exact Mass | 211.03 |
| XLogP3 | 1.7947 |
| Mr | 55.8215 |
| PSA | 62.83 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1CS(=O)(=O)N(c2c1cccc2)C |
