Base information
| Cat. No. | |
| CAS No. | 80567-66-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NO2S |
| Molecular Weight | 181.212 |
| Exact Mass | 181.02 |
| XLogP3 | 1.5982 |
| Mr | 48.9377 |
| PSA | 70.33 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cccc2c1[nH]c(=O)s2 |
