Base information
| Cat. No. | |
| CAS No. | 80689-16-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NO2S |
| Molecular Weight | 195.238 |
| Exact Mass | 195.035 |
| XLogP3 | 1.9066 |
| Mr | 53.9037 |
| PSA | 70.33 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(OC)cc2c1[nH]c(=O)s2 |
