Base information
| Cat. No. | |
| CAS No. | 80567-67-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NOS |
| Molecular Weight | 179.239 |
| Exact Mass | 179.04 |
| XLogP3 | 2.2064 |
| Mr | 52.3777 |
| PSA | 61.1 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(C)cc2c1[nH]c(=O)s2 |
