Base information
| Cat. No. | |
| CAS No. | 111988-49-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H9ClN4S |
| Molecular Weight | 252.723 |
| Exact Mass | 252.024 |
| XLogP3 | 2.05878 |
| Mr | 69.163 |
| PSA | 77.58 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#C/N=C\1/SCCN1Cc1ccc(nc1)Cl |
