![3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole structure](/static/products/5316/5316-64-3.webp)
3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole
TL;DR: 3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole (CAS 5316-64-3) is a chemical compound with molecular formula C17H15Cl2N3S and molecular weight 363.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole
Also Known As: 3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole, 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole, 3-{[(3,4-Dichlorophenyl)methyl]sulfanyl}-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole
| Molecular Formula | C17H15Cl2N3S |
|---|---|
| Molecular Weight | 363.04 g/mol |
| LogP | 5.38962 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.03638 |
| Heavy Atoms | 23 |
| Complexity | 845.6049 |
Chemical Identifiers
| CAS Number | 5316-64-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole (CAS 5316-64-3), with molecular formula C17H15Cl2N3S and molecular weight 363.04 g/mol. IUPAC: 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole.
Chemical Property Profile of 3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole
Property Insights of 3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole
The XLogP value of 5.38962 indicates that 3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-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-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-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-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole?
The CAS number of 3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole is 5316-64-3.
What is the molecular formula of 3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole?
The molecular formula of 3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole is C17H15Cl2N3S.
What is the molecular weight of 3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole?
The molecular weight of 3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole is 363.04 g/mol.
Where can I buy 3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole?
You can request a quote for 3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-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-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-dichlorobenzyl)sulfanyl]-4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.