Base information
| Cat. No. | |
| CAS No. | 163597-57-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14N2OS |
| Molecular Weight | 234.317 |
| Exact Mass | 234.083 |
| XLogP3 | 2.92758 |
| Mr | 67.5344 |
| PSA | 91.13 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 30 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(ccc1OCC(C)C)C(=S)N |
