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3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole structure
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3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole

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

CAS Number
896838-36-1
Molecular Formula
C25H25N3OS
Molecular Weight
415.17184 g/mol
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Technical Specifications

Molecular FormulaC25H25N3OS
Molecular Weight415.17184 g/mol
XLogP6.0
Topological Polar Surface Area (TPSA)65.2 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors4
Rotatable Bonds7
Exact Mass415.17184 Da
Heavy Atoms30
Complexity505.0
SMILESCC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C)COC4=CC=C(C=C4)C
InChIKeyJUWNXHVMJXJJJF-UHFFFAOYSA-N

Chemical Property Profile of 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole

XLogP
6.0
TPSA (Topological Polar Surface Area)
65.2
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
7
Heavy Atoms
30
Complexity
505.0
Exact Mass
415.17184
Monoisotopic Mass
415.17184
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole

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.

Frequently Asked Questions

What is the CAS number of 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole?

The CAS number of 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole is 896838-36-1.

What is the molecular formula of 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole?

The molecular formula of 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole is C25H25N3OS.

What is the molecular weight of 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole?

The molecular weight of 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole is 415.17184 g/mol.

Where can I buy 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole?

You can request a quote for 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole?

Yes, CoreyChem provides custom synthesis services for 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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