4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 613249-61-9) is a chemical compound with molecular formula C17H14Cl2N4OS and molecular weight 392.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, (E)-4-((2,6-dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(2,6-dichlorophenyl)-1-azavinyl]-5-(3-ethoxyphenyl)-1,2,4-triazole-3 -thiol, 4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(2,6-dichlorophenyl)methylidene]amino}-5-(3-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C17H14Cl2N4OS |
|---|---|
| Molecular Weight | 392.03 g/mol |
| LogP | 5.19539 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.02655 |
| Heavy Atoms | 25 |
| Complexity | 960.52435 |
Chemical Identifiers
| CAS Number | 613249-61-9 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC=C3Cl)Cl |
Product Overview
4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 613249-61-9), with molecular formula C17H14Cl2N4OS and molecular weight 392.03 g/mol. IUPAC: 4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.19539 indicates that 4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-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, 4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 613249-61-9.
What is the molecular formula of 4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol is C17H14Cl2N4OS.
What is the molecular weight of 4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 392.03 g/mol.
Where can I buy 4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-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-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,6-Dichlorobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.