Base information
| Cat. No. | |
| CAS No. | 1105187-36-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrNO2S |
| Molecular Weight | 260.108 |
| Exact Mass | 258.93 |
| XLogP3 | 2.7785 |
| Mr | 55.1552 |
| PSA | 70.33 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc2c([nH]1)c(cs2)Br |
