Base information
| Cat. No. | |
| CAS No. | 112440-46-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H18N2S2 |
| Molecular Weight | 326.479 |
| Exact Mass | 326.091 |
| XLogP3 | 5.61796 |
| Mr | 96.474 |
| PSA | 104.06 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 41 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#C/C(=C(/c1c(C)sc(c1C)C)\C#N)/c1c(C)sc(c1C)C |
