Base information
| Cat. No. | |
| CAS No. | 85426-79-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5ClN4S |
| Molecular Weight | 200.649 |
| Exact Mass | 199.992 |
| XLogP3 | 1.7282 |
| Mr | 48.4147 |
| PSA | 79.76 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CSc1nc(Cl)c2c(n1)[nH]nc2 |
