![3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole structure](/static/products/874/874792-58-2.png)
3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole
TL;DR: 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole (CAS 874792-58-2) is a chemical compound with molecular formula C21H14Cl3N3S and molecular weight 445.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
Also Known As: 3-(3-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole, 3-(3-chlorophenyl)-5-((2,6-dichlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazole, 3-(3-chlorophenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole, 3-(3-chlorophenyl)-5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole, 3-[(2,6-dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole
| Molecular Formula | C21H14Cl3N3S |
|---|---|
| Molecular Weight | 445.00 g/mol |
| LogP | 7.1868 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.9974 |
| Heavy Atoms | 28 |
| Complexity | 1092.8462 |
Chemical Identifiers
| CAS Number | 874792-58-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)Cl)C4=CC(=CC=C4)Cl |
Product Overview
3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole (CAS 874792-58-2), with molecular formula C21H14Cl3N3S and molecular weight 445.00 g/mol. IUPAC: 3-(3-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole
Property Insights of 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole
The XLogP value of 7.1868 indicates that 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole?
The CAS number of 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole is 874792-58-2.
What is the molecular formula of 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole?
The molecular formula of 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole is C21H14Cl3N3S.
What is the molecular weight of 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole?
The molecular weight of 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole is 445.00 g/mol.
Where can I buy 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole?
You can request a quote for 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,6-Dichlorophenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.