Base information
| Cat. No. | |
| CAS No. | 54016-70-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H14BrNOS |
| Molecular Weight | 252.172 |
| Exact Mass | 250.998 |
| XLogP3 | -2.0973 |
| Mr | 57.5448 |
| PSA | 52.35 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OCCc1sc[n+](c1C)CC.[Br-] |
