Base information
| Cat. No. | |
| CAS No. | 16778-84-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7NO2S |
| Molecular Weight | 193.222 |
| Exact Mass | 193.02 |
| XLogP3 | 1.9382 |
| Mr | 52.2905 |
| PSA | 70.75 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)C(=O)N=C=S |
