5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 577982-16-2) is a chemical compound with molecular formula C18H17FN4OS and molecular weight 356.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluorophenyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, (E)-5-(2-fluorophenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(2-fluorophenyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-[(1E)-2-(4-propoxyphenyl)-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole-3-th iol, 5-(2-fluorophenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C18H17FN4OS |
|---|---|
| Molecular Weight | 356.11 g/mol |
| LogP | 4.41779 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.11072 |
| Heavy Atoms | 25 |
| Complexity | 930.74915 |
Chemical Identifiers
| CAS Number | 577982-16-2 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3F |
Product Overview
5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 577982-16-2), with molecular formula C18H17FN4OS and molecular weight 356.11 g/mol. IUPAC: 3-(2-fluorophenyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.41779 indicates that 5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-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 55.2 Ų, 5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-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 5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 577982-16-2.
What is the molecular formula of 5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is C18H17FN4OS.
What is the molecular weight of 5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 356.11 g/mol.
Where can I buy 5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-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 5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Fluorophenyl)-4-((4-propoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.