Base information
| Cat. No. | |
| CAS No. | 111248-89-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7NO2S |
| Molecular Weight | 169.201 |
| Exact Mass | 169.02 |
| XLogP3 | 2.1607 |
| Mr | 45.6917 |
| PSA | 54.55 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=S1(=O)Cc2c(N1)cccc2 |
