Base information
| Cat. No. | |
| CAS No. | 13735-04-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9BrO2S |
| Molecular Weight | 261.136 |
| Exact Mass | 259.951 |
| XLogP3 | 3.0159 |
| Mr | 57.2488 |
| PSA | 62.6 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCSc1ccc(cc1)Br |
