4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol
TL;DR: 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol (CAS 1035968-66-1) is a chemical compound with molecular formula C18H14N6OS and molecular weight 362.09497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol, 4-((E)-((E)-3-(furan-2-yl)allylidene)amino)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione, 4-[(E)-3-Furan-2-yl-prop-2-en-(E)-ylideneamino]-5-(5-phenyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol, 4-{[(1E,2E)-3-(furan-2-yl)prop-2-en-1-ylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C18H14N6OS |
| Molecular Weight | 362.09497 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.09497 Da |
| Heavy Atoms | 26 |
| Complexity | 600.0 |
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3/N=C/C=C/C4=CC=CO4 |
| InChIKey | HSOJQQIHMCCHMP-MOPJDAFUSA-N |
Chemical Property Profile of 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol
Property Insights of 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol
The XLogP value of 3.1 indicates that 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol. Following Lipinski's Rule of Five, 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol?
The CAS number of 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol is 1035968-66-1.
What is the molecular formula of 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol?
The molecular formula of 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol is C18H14N6OS.
What is the molecular weight of 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol?
The molecular weight of 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol is 362.09497 g/mol.
Where can I buy 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol?
You can request a quote for 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-phenylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.