Base information
| Cat. No. | |
| CAS No. | 77414-67-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14N2S |
| Molecular Weight | 218.318 |
| Exact Mass | 218.088 |
| XLogP3 | 3.5813 |
| Mr | 66.0397 |
| PSA | 53.16 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 31 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | C1CC(C1)CNc1nc2c(s1)cccc2 |
