Base information
| Cat. No. | |
| CAS No. | 72835-25-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5NS |
| Molecular Weight | 123.176 |
| Exact Mass | 123.014 |
| XLogP3 | 1.92818 |
| Mr | 34 |
| PSA | 52.03 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 13 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1ccc(s1)C#N |
