TL;DR: 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione (CAS 122772-40-1) is a chemical compound with molecular formula C22H15ClN4S2 and molecular weight 434.04266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(4-chlorophenyl)-2,6-diphenyl-7H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5-thione
Also Known As: 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione, 7-(4-chlorophenyl)-2,6-diphenyl-7H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5-thione, 4-(4-chlorophenyl)-3,8-diphenyl-7-thia-1,3,5,9-tetrazabicyclo[4.3.0]nona-5,8-diene-2-thione, 7-(4-Chlorophenyl)-2,6-diphenyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5-thione
| Molecular Formula | C22H15ClN4S2 |
| Molecular Weight | 434.04266 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 88.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.04266 Da |
| Heavy Atoms | 29 |
| Complexity | 676.0 |
| SMILES | C1=CC=C(C=C1)C2=NN3C(=NC(N(C3=S)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)S2 |
| InChIKey | NLKHQEJWHQVHTJ-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione. Following Lipinski's Rule of Five, 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione is 122772-40-1.
The molecular formula of 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione is C22H15ClN4S2.
The molecular weight of 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione is 434.04266 g/mol.
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