5-anilino-2-[(benzenesulfonyl)methyl]-3-(4-methylphenyl)-1,2,4-thiadiazol-2-ium--chloride (1/1)
Chemical Structure Depiction of
5-anilino-2-[(benzenesulfonyl)methyl]-3-(4-methylphenyl)-1,2,4-thiadiazol-2-ium--chloride (1/1)
5-anilino-2-[(benzenesulfonyl)methyl]-3-(4-methylphenyl)-1,2,4-thiadiazol-2-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 1492-0256 |
| Compound Name: | 5-anilino-2-[(benzenesulfonyl)methyl]-3-(4-methylphenyl)-1,2,4-thiadiazol-2-ium--chloride (1/1) |
| Molecular Weight: | 458 |
| Molecular Formula: | C22 H20 N3 O2 S2 |
| Salt: | Cl- |
| Smiles: | Cc1ccc(cc1)c1nc(Nc2ccccc2)s[n+]1CS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5803 |
| logD: | 5.5803 |
| logSw: | -5.6501 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.455 |
| InChI Key: | HYCVODOHHKIKGO-UHFFFAOYSA-O |