Base information
| Cat. No. | |
| CAS No. | 13679-72-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8OS |
| Molecular Weight | 140.203 |
| Exact Mass | 140.03 |
| XLogP3 | 2.2591 |
| Mr | 39.4795 |
| PSA | 45.31 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1sccc1C |
