(E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 1037567-63-7) is a chemical compound with molecular formula C13H11FN6S and molecular weight 302.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-fluorophenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-(4-fluorophenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(4-fluorophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C13H11FN6S |
|---|---|
| Molecular Weight | 302.07 g/mol |
| LogP | 2.66051 |
| Topological Polar Surface Area | 74.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.07498 |
| Heavy Atoms | 21 |
| Complexity | 842.1762 |
Chemical Identifiers
| CAS Number | 1037567-63-7 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)F |
Product Overview
(E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 1037567-63-7), with molecular formula C13H11FN6S and molecular weight 302.07 g/mol. IUPAC: 4-[(E)-(4-fluorophenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.66051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol. The TPSA of 74.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 4 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 (E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is 1037567-63-7.
What is the molecular formula of (E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is C13H11FN6S.
What is the molecular weight of (E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is 302.07 g/mol.
Where can I buy (E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-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 (E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((4-fluorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.