Base information
| Cat. No. | |
| CAS No. | 100367-77-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BrNO2S |
| Molecular Weight | 236.086 |
| Exact Mass | 234.93 |
| XLogP3 | 2.0823 |
| Mr | 45.9005 |
| PSA | 67.43 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1csc(n1)Br |
