![4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/488/488732-96-3.png)
4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol (CAS 488732-96-3) is a chemical compound with molecular formula C13H9FN4OS and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-fluorophenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3-fluorobenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3-fluorophenyl)-1-azavinyl]-5-(2-furyl)-1,2,4-triazole-3-thiol, 4-[(E)-(3-fluorophenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol, 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(furan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C13H9FN4OS |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | 3.22199 |
| Topological Polar Surface Area | 59.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.0481 |
| Heavy Atoms | 20 |
| Complexity | 803.89795 |
Chemical Identifiers
| CAS Number | 488732-96-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)/C=N/N2C(=NNC2=S)C3=CC=CO3 |
Product Overview
4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol (CAS 488732-96-3), with molecular formula C13H9FN4OS and molecular weight 288.05 g/mol. IUPAC: 4-[(E)-(3-fluorophenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.22199 indicates that 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-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-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-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-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol is 488732-96-3.
What is the molecular formula of 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol is C13H9FN4OS.
What is the molecular weight of 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol is 288.05 g/mol.
Where can I buy 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-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-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.