Base information
| Cat. No. | |
| CAS No. | 1629-78-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7NOS |
| Molecular Weight | 177.223 |
| Exact Mass | 177.025 |
| XLogP3 | 2.4989 |
| Mr | 49.8145 |
| PSA | 58.2 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1nc2c(s1)cccc2 |
