Base information
| Cat. No. | |
| CAS No. | 110704-32-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrNS |
| Molecular Weight | 228.109 |
| Exact Mass | 226.94 |
| XLogP3 | 3.3672 |
| Mr | 52.286 |
| PSA | 41.13 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1nc2c(s1)c(Br)ccc2 |
