![4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione structure](/static/products/4506/4506-99-4.webp)
4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 4506-99-4) is a chemical compound with molecular formula C15H11N5O3S and molecular weight 341.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-[3-(5-nitro-2-furyl)prop-2-enylideneamino]-5-phenyl-2H-1,2,4-triazole-3-thione, 4-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H11N5O3S |
|---|---|
| Molecular Weight | 341.06 g/mol |
| LogP | 3.65619 |
| Topological Polar Surface Area | 102.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.05826 |
| Heavy Atoms | 24 |
| Complexity | 968.4184 |
Chemical Identifiers
| CAS Number | 4506-99-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)N2N=CC=CC3=CC=C(O3)[N+](=O)[O-] |
Product Overview
4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 4506-99-4), with molecular formula C15H11N5O3S and molecular weight 341.06 g/mol. IUPAC: 4-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 3.65619 indicates that 4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione has 1 hydrogen bond donor(s) and 6 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-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 4506-99-4.
What is the molecular formula of 4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C15H11N5O3S.
What is the molecular weight of 4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 341.06 g/mol.
Where can I buy 4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.