5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 587006-69-7) is a chemical compound with molecular formula C21H15FN4OS and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-4-[(E)-(3-phenoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, (E)-5-(4-fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3-phenoxyphenyl)-1-azavinyl]-5-(4-fluorophenyl)-1,2,4-triazole-3-th iol, 5-(4-fluorophenyl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(4-fluorophenyl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C21H15FN4OS |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 5.42129 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.09506 |
| Heavy Atoms | 28 |
| Complexity | 1166.9972 |
Chemical Identifiers
| CAS Number | 587006-69-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=N/N3C(=NNC3=S)C4=CC=C(C=C4)F |
Product Overview
5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 587006-69-7), with molecular formula C21H15FN4OS and molecular weight 390.10 g/mol. IUPAC: 3-(4-fluorophenyl)-4-[(E)-(3-phenoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.42129 indicates that 5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-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 55.2 Ų, 5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 587006-69-7.
What is the molecular formula of 5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is C21H15FN4OS.
What is the molecular weight of 5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 390.10 g/mol.
Where can I buy 5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-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 5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Fluorophenyl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.