Base information
| Cat. No. | |
| CAS No. | 648412-55-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrNO2S |
| Molecular Weight | 260.108 |
| Exact Mass | 258.93 |
| XLogP3 | 2.47728 |
| Mr | 52.9795 |
| PSA | 78.33 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1sc(c(c1C)Br)C#N |
