4-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol
TL;DR: 4-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol (CAS 478253-72-4) is a chemical compound with molecular formula C12H9N5OS and molecular weight 271.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-4-[(E)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 4-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol, (E)-5-(furan-2-yl)-4-((pyridin-4-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(furan-2-yl)-4-[(E)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-thione, 5-(furan-2-yl)-4-{[(E)-pyridin-4-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C12H9N5OS |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | 2.47789 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.0528 |
| Heavy Atoms | 19 |
| Complexity | 742.03503 |
Chemical Identifiers
| CAS Number | 478253-72-4 |
|---|---|
| SMILES | C1=COC(=C1)C2=NNC(=S)N2/N=C/C3=CC=NC=C3 |
Product Overview
4-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol (CAS 478253-72-4), with molecular formula C12H9N5OS and molecular weight 271.05 g/mol. IUPAC: 3-(furan-2-yl)-4-[(E)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol
Property Insights of 4-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol
The XLogP value of 2.47789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 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-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol?
The CAS number of 4-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol is 478253-72-4.
What is the molecular formula of 4-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol?
The molecular formula of 4-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol is C12H9N5OS.
What is the molecular weight of 4-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol?
The molecular weight of 4-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol is 271.05 g/mol.
Where can I buy 4-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol?
You can request a quote for 4-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-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-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((1E)-2-(4-pyridyl)-1-azavinyl)-5-(2-furyl)-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.