Base information
| Cat. No. | |
| CAS No. | 172349-09-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5NOS |
| Molecular Weight | 139.175 |
| Exact Mass | 139.009 |
| XLogP3 | 1.11208 |
| Mr | 35.1618 |
| PSA | 72.26 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OCc1ccc(s1)C#N |
