Base information
| Cat. No. | |
| CAS No. | 119485-56-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12INO2S |
| Molecular Weight | 325.167 |
| Exact Mass | 324.963 |
| XLogP3 | 3.7727 |
| Mr | 67.2817 |
| PSA | 66.57 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | O=C(OC(C)(C)C)Nc1sccc1I |
