TL;DR: 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole (CAS 896838-36-1) is a chemical compound with molecular formula C25H25N3OS and molecular weight 415.17184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole, 3-((3-methylbenzyl)thio)-4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole, 3-(4-methylphenoxymethyl)-4-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole, 3-[(3-methylbenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazole, 4-methyl-1-({4-(4-methylphenyl)-5-[(3-methylphenyl)methylthio](1,2,4-triazol-3 -yl)}methoxy)benzene
| Molecular Formula | C25H25N3OS |
| Molecular Weight | 415.17184 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.17184 Da |
| Heavy Atoms | 30 |
| Complexity | 505.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C)COC4=CC=C(C=C4)C |
| InChIKey | JUWNXHVMJXJJJF-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole. Following Lipinski's Rule of Five, 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole is 896838-36-1.
The molecular formula of 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole is C25H25N3OS.
The molecular weight of 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole is 415.17184 g/mol.
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