4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 586993-69-3) is a chemical compound with molecular formula C15H10ClFN4S and molecular weight 332.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol, (E)-4-((2-chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(2-chlorophenyl)-1-azavinyl]-5-(4-fluorophenyl)-1,2,4-triazole-3-thi ol, 4-[(E)-(2-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(2-chlorophenyl)methylidene]amino}-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C15H10ClFN4S |
|---|---|
| Molecular Weight | 332.03 g/mol |
| LogP | 4.28239 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.02988 |
| Heavy Atoms | 22 |
| Complexity | 883.05817 |
Chemical Identifiers
| CAS Number | 586993-69-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F)Cl |
Product Overview
4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 586993-69-3), with molecular formula C15H10ClFN4S and molecular weight 332.03 g/mol. IUPAC: 4-[(E)-(2-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.28239 indicates that 4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.97 Ų, 4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol has 1 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 4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 586993-69-3.
What is the molecular formula of 4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is C15H10ClFN4S.
What is the molecular weight of 4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol is 332.03 g/mol.
Where can I buy 4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Chlorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.