Base information
| Cat. No. | |
| CAS No. | 72679-97-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NO2S |
| Molecular Weight | 181.212 |
| Exact Mass | 181.02 |
| XLogP3 | 1.0128 |
| Mr | 48.5088 |
| PSA | 70.47 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OCn1c(=O)sc2c1cccc2 |
