Base information
| Cat. No. | |
| CAS No. | 7152-80-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H10N2S |
| Molecular Weight | 178.254 |
| Exact Mass | 178.056 |
| XLogP3 | 2.32578 |
| Mr | 52.119 |
| PSA | 52.33 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CN(c1ccc(cc1)SC#N)C |
