Base information
| Cat. No. | |
| CAS No. | 1000577-91-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H3BrN2S |
| Molecular Weight | 239.092 |
| Exact Mass | 237.92 |
| XLogP3 | 3.05508 |
| Mr | 53.543 |
| PSA | 68.24 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | S=C=Nc1ccc(cc1Br)C#N |
