Base information
| Cat. No. | |
| CAS No. | 107166-95-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H9IN2OS |
| Molecular Weight | 296.129 |
| Exact Mass | 295.948 |
| XLogP3 | 2.1201 |
| Mr | 57.928 |
| PSA | 60.31 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1nc(SC)nc(c1I)C |
