5-(2-Fluorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-Fluorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 676579-06-9) is a chemical compound with molecular formula C18H17FN4S and molecular weight 340.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluorophenyl)-4-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-Fluorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol, (E)-5-(2-fluorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(2-fluorophenyl)-4-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-{(1E)-2-[4-(methylethyl)phenyl]-1-azavinyl}-5-(2-fluorophenyl)-1,2,4-triazol e-3-thiol, 5-(2-fluorophenyl)-4-({(E)-[4-(propan-2-yl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C18H17FN4S |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 4.75239 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.11578 |
| Heavy Atoms | 24 |
| Complexity | 922.69183 |
Chemical Identifiers
| CAS Number | 676579-06-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3F |
Product Overview
5-(2-Fluorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 676579-06-9), with molecular formula C18H17FN4S and molecular weight 340.12 g/mol. IUPAC: 3-(2-fluorophenyl)-4-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-Fluorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-Fluorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.75239 indicates that 5-(2-Fluorophenyl)-4-((4-isopropylbenzylidene)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 45.97 Ų, 5-(2-Fluorophenyl)-4-((4-isopropylbenzylidene)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-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-Fluorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 676579-06-9.
What is the molecular formula of 5-(2-Fluorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-Fluorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol is C18H17FN4S.
What is the molecular weight of 5-(2-Fluorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-Fluorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 340.12 g/mol.
Where can I buy 5-(2-Fluorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-Fluorophenyl)-4-((4-isopropylbenzylidene)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-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Fluorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.