Base information
| Cat. No. | |
| CAS No. | 136310-93-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C19H22BrNO4S2 |
| Molecular Weight | 472.416 |
| Exact Mass | 471.017 |
| XLogP3 | -0.6915 |
| Mr | 113.587 |
| PSA | 115.54 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 52 |
| Ring number | 5 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | O=C(C(c1cccs1)(c1cccs1)O)O[C@@H]1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3.[Br-] |
