Base information
| Cat. No. | |
| CAS No. | 116118-98-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9NO2S |
| Molecular Weight | 183.228 |
| Exact Mass | 183.035 |
| XLogP3 | 1.4208 |
| Mr | 50.62 |
| PSA | 77.57 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1cc2c(s1)CCNC2 |
