Base information
| Cat. No. | |
| CAS No. | 136310-95-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C19H22BrNO3S2 |
| Molecular Weight | 456.417 |
| Exact Mass | 455.022 |
| XLogP3 | 0.0973 |
| Mr | 114.142 |
| PSA | 103.01 |
| Sequence | - |
| Atom number | 48 |
| Bond number | 50 |
| Ring number | 4 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | O=C(C(c1cccs1)(c1cccs1)O)O[C@@H]1C[C@@H]2C=C[C@H](C1)[N+]2(C)C.[Br-] |
