TL;DR: 3-(2,4-dichlorophenyl)-6-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 799808-25-6) is a chemical compound with molecular formula C16H10Cl2N4S and molecular weight 360.00034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,4-dichlorophenyl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 3-(2,4-dichlorophenyl)-6-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(2,4-dichlorophenyl)-6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(2,4-dichlorophenyl)-6-(2-methylphenyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazo line, 3-(2,4-dichlorophenyl)-6-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C16H10Cl2N4S |
| Molecular Weight | 360.00034 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.00034 Da |
| Heavy Atoms | 23 |
| Complexity | 429.0 |
| SMILES | CC1=CC=CC=C1C2=NN3C(=NN=C3S2)C4=C(C=C(C=C4)Cl)Cl |
| InChIKey | WJUOWQZNJGKCDE-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 3-(2,4-dichlorophenyl)-6-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,4-dichlorophenyl)-6-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 3-(2,4-dichlorophenyl)-6-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(2,4-dichlorophenyl)-6-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 799808-25-6.
The molecular formula of 3-(2,4-dichlorophenyl)-6-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C16H10Cl2N4S.
The molecular weight of 3-(2,4-dichlorophenyl)-6-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 360.00034 g/mol.
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