4-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 488803-79-8) is a chemical compound with molecular formula C14H10FN5S and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-fluorophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((4-fluorobenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-((4-FLUOROBENZYLIDENE)AMINO)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-[(1E)-2-(4-fluorophenyl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thiol, 4-[(E)-(4-fluorophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione, 4-[(4-FLUOROPHENYL)METHYLIDENEAMINO]-5-PYRIDIN-4-YL-2H-1,2,4-TRIAZOLE-3(4H)-THIONE
| Molecular Formula | C14H10FN5S |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 3.02399 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.0641 |
| Heavy Atoms | 21 |
| Complexity | 820.5756 |
Chemical Identifiers
| CAS Number | 488803-79-8 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=N/N2C(=NNC2=S)C3=CC=NC=C3)F |
Product Overview
4-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 488803-79-8), with molecular formula C14H10FN5S and molecular weight 299.06 g/mol. IUPAC: 4-[(E)-(4-fluorophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.02399 indicates that 4-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-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 58.86 Ų, 4-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol has 1 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 4-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol is 488803-79-8.
What is the molecular formula of 4-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol is C14H10FN5S.
What is the molecular weight of 4-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol is 299.06 g/mol.
Where can I buy 4-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-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-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Fluorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.