Base information
| Cat. No. | |
| CAS No. | 1227270-47-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H11IN2O2S |
| Molecular Weight | 398.219 |
| Exact Mass | 397.959 |
| XLogP3 | 4.2671 |
| Mr | 86.486 |
| PSA | 60.34 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 33 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Cc1ccnc2c1cc(n2S(=O)(=O)c1ccccc1)I |
