Base information
| Cat. No. | |
| CAS No. | 100622-93-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H11ClN2S |
| Molecular Weight | 274.769 |
| Exact Mass | 274.033 |
| XLogP3 | 4.4006 |
| Mr | 77.8817 |
| PSA | 52.81 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 31 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc(cc1)Cn1c(=S)[nH]c2c1cccc2 |
