3-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole
TL;DR: 3-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole (CAS 93677-90-8) is a chemical compound with molecular formula C15H11Cl2N3S and molecular weight 335.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole
Also Known As: 3-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole, 3-(2,4-dichlorophenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole, 3-(2,4-Dichlorophenyl)-5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole, RefChem:273409
| Molecular Formula | C15H11Cl2N3S |
|---|---|
| Molecular Weight | 335.01 g/mol |
| LogP | 4.963 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.00507 |
| Heavy Atoms | 21 |
| Complexity | 771.84485 |
Chemical Identifiers
| CAS Number | 93677-90-8 |
|---|---|
| SMILES | CSC1=NN=C(N1C2=CC=CC=C2)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
3-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole (CAS 93677-90-8), with molecular formula C15H11Cl2N3S and molecular weight 335.01 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole
Property Insights of 3-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole
The XLogP value of 4.963 indicates that 3-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-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-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole?
The CAS number of 3-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole is 93677-90-8.
What is the molecular formula of 3-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole?
The molecular formula of 3-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole is C15H11Cl2N3S.
What is the molecular weight of 3-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole?
The molecular weight of 3-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole is 335.01 g/mol.
Where can I buy 3-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole?
You can request a quote for 3-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-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-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-Dichlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.