Base information
| Cat. No. | |
| CAS No. | 177586-41-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H7IS |
| Molecular Weight | 310.153 |
| Exact Mass | 309.931 |
| XLogP3 | 4.6591 |
| Mr | 72.048 |
| PSA | 28.24 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 23 |
| Ring number | 3 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Ic1ccc2c(c1)c1ccccc1s2 |
