4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazole
TL;DR: 4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazole (CAS 849005-77-2) is a chemical compound with molecular formula C19H17Cl2N3S and molecular weight 389.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazole
Also Known As: 4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazole, 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazole, 3-[(3,4-dichlorophenyl)methylthio]-5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-tria zole, 3-[(3,4-dichlorobenzyl)sulfanyl]-5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
| Molecular Formula | C19H17Cl2N3S |
|---|---|
| Molecular Weight | 389.05 g/mol |
| LogP | 6.03862 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.05203 |
| Heavy Atoms | 25 |
| Complexity | 888.1849 |
Chemical Identifiers
| CAS Number | 849005-77-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazole (CAS 849005-77-2), with molecular formula C19H17Cl2N3S and molecular weight 389.05 g/mol. IUPAC: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of 4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazole
Property Insights of 4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazole
The XLogP value of 6.03862 indicates that 4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-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, 4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-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 4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazole?
The CAS number of 4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazole is 849005-77-2.
What is the molecular formula of 4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazole?
The molecular formula of 4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazole is C19H17Cl2N3S.
What is the molecular weight of 4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazole?
The molecular weight of 4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazole is 389.05 g/mol.
Where can I buy 4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazole?
You can request a quote for 4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-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 4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-allyl-3-((3,4-dichlorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.