Base information
| Cat. No. | |
| CAS No. | 845879-01-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H12BrN3OS3 |
| Molecular Weight | 402.353 |
| Exact Mass | 400.933 |
| XLogP3 | 5.10858 |
| Mr | 96.463 |
| PSA | 137.11 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 34 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CCCS/C(=N\C#N)/SCOc1nc2c(s1)cc(cc2)Br |
