![4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione structure](/static/products/850/850901-58-5.png)
4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione (CAS 850901-58-5) is a chemical compound with molecular formula C13H12N6OS and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione, 4-((1E,3E)-4-(2-furyl)-1-azabuta-1,3-dienyl)-5-(3-methylpyrazol-5-yl)-1,2,4-tr iazole-3-thiol, 4-((E)-((E)-3-(furan-2-yl)allylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-3-Furan-2-yl-prop-2-en-(E)-ylideneamino]-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol, 4-{(E)-[(2E)-3-(Furan-2-yl)prop-2-en-1-ylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C13H12N6OS |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 2.77951 |
| Topological Polar Surface Area | 87.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.0793 |
| Heavy Atoms | 21 |
| Complexity | 836.27484 |
Chemical Identifiers
| CAS Number | 850901-58-5 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NNC(=S)N2/N=C/C=C/C3=CC=CO3 |
Product Overview
4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione (CAS 850901-58-5), with molecular formula C13H12N6OS and molecular weight 300.08 g/mol. IUPAC: 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
The XLogP value of 2.77951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione. The TPSA of 87.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione 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
Frequently Asked Questions
What is the CAS number of 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione is 850901-58-5.
What is the molecular formula of 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione is C13H12N6OS.
What is the molecular weight of 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione is 300.08 g/mol.
Where can I buy 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.