(E)-5-ethyl-4-((2-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-ethyl-4-((2-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 466645-69-2) is a chemical compound with molecular formula C11H11FN4S and molecular weight 250.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-4-[(E)-(2-fluorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-ethyl-4-[(E)-[(2-fluorophenyl)methylidene]amino]-4H-1,2,4-triazole-3-thiol, F3097-5585, (E)-5-ethyl-4-((2-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-ethyl-4-[(E)-(2-fluorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 5-Ethyl-4-((2-fluorobenzylidene)amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C11H11FN4S |
|---|---|
| Molecular Weight | 250.07 g/mol |
| LogP | 2.52439 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.06885 |
| Heavy Atoms | 17 |
| Complexity | 599.51404 |
Chemical Identifiers
| CAS Number | 466645-69-2 |
|---|---|
| SMILES | CCC1=NNC(=S)N1/N=C/C2=CC=CC=C2F |
Product Overview
(E)-5-ethyl-4-((2-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 466645-69-2), with molecular formula C11H11FN4S and molecular weight 250.07 g/mol. IUPAC: 3-ethyl-4-[(E)-(2-fluorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-ethyl-4-((2-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-ethyl-4-((2-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.52439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-ethyl-4-((2-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 45.97 Ų, (E)-5-ethyl-4-((2-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-5-ethyl-4-((2-fluorobenzylidene)amino)-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 (E)-5-ethyl-4-((2-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-ethyl-4-((2-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 466645-69-2.
What is the molecular formula of (E)-5-ethyl-4-((2-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-ethyl-4-((2-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol is C11H11FN4S.
What is the molecular weight of (E)-5-ethyl-4-((2-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-ethyl-4-((2-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 250.07 g/mol.
Where can I buy (E)-5-ethyl-4-((2-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-ethyl-4-((2-fluorobenzylidene)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 (E)-5-ethyl-4-((2-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-ethyl-4-((2-fluorobenzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.