![4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol structure](/static/products/418/418800-96-1.png)
4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 418800-96-1) is a chemical compound with molecular formula C16H14N4OS and molecular weight 310.09 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)-2-methylprop-2-enylidene]amino]-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-((3-(2-FURYL)-2-ME-2-PROPENYLIDENE)AMINO)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL, 4-((E)-((E)-3-(furan-2-yl)-2-methylallylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-[(E)-[(2E)-3-(FURAN-2-YL)-2-METHYLPROP-2-EN-1-YLIDENE]AMINO]-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL, 4-{[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H14N4OS |
|---|---|
| Molecular Weight | 310.09 g/mol |
| LogP | 4.13809 |
| Topological Polar Surface Area | 59.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.08884 |
| Heavy Atoms | 22 |
| Complexity | 857.2002 |
Chemical Identifiers
| CAS Number | 418800-96-1 |
|---|---|
| SMILES | C/C(=C\C1=CC=CO1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3 |
Product Overview
4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 418800-96-1), with molecular formula C16H14N4OS and molecular weight 310.09 g/mol. IUPAC: 4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.13809 indicates that 4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-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 59.11 Ų, 4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-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-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol is 418800-96-1.
What is the molecular formula of 4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol is C16H14N4OS.
What is the molecular weight of 4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol is 310.09 g/mol.
Where can I buy 4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-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-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-{[3-(2-furyl)-2-methyl-2-propen-1-ylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.