Base information
| Cat. No. | |
| CAS No. | 81294-11-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6S |
| Molecular Weight | 122.188 |
| Exact Mass | 122.019 |
| XLogP3 | 2.0378 |
| Mr | 37.22 |
| PSA | 28.24 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C#Cc1sccc1C |
