5-(2-Fluorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-Fluorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 573975-68-5) is a chemical compound with molecular formula C19H13FN4S and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluorophenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-Fluorophenyl)-4-((naphthalen-1-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol, (E)-5-(2-fluorophenyl)-4-((naphthalen-1-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(2-fluorophenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione, 4-((1E)-2-naphthyl-1-azavinyl)-5-(2-fluorophenyl)-1,2,4-triazole-3-thiol, 5-(2-Fluorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C19H13FN4S |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 4.78219 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.0845 |
| Heavy Atoms | 25 |
| Complexity | 1138.0905 |
Chemical Identifiers
| CAS Number | 573975-68-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2/C=N/N3C(=NNC3=S)C4=CC=CC=C4F |
Product Overview
5-(2-Fluorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 573975-68-5), with molecular formula C19H13FN4S and molecular weight 348.08 g/mol. IUPAC: 3-(2-fluorophenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-Fluorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-Fluorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.78219 indicates that 5-(2-Fluorophenyl)-4-((1-naphthylmethylene)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-((1-naphthylmethylene)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-((1-naphthylmethylene)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-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-Fluorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol is 573975-68-5.
What is the molecular formula of 5-(2-Fluorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-Fluorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol is C19H13FN4S.
What is the molecular weight of 5-(2-Fluorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-Fluorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol is 348.08 g/mol.
Where can I buy 5-(2-Fluorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-Fluorophenyl)-4-((1-naphthylmethylene)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-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Fluorophenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.