![5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol structure](/static/products/2196/219612-55-2.webp)
5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol (CAS 219612-55-2) is a chemical compound with molecular formula C18H17ClN4O3S and molecular weight 404.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol, 3-(4-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-[(1Z)-2-(3,4,5-trimethoxyphenyl)-1-azavinyl]-5-(4-chlorophenyl)-1,2,4-triazo le-3-thiol
| Molecular Formula | C18H17ClN4O3S |
|---|---|
| Molecular Weight | 404.07 g/mol |
| LogP | 4.16909 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.07098 |
| Heavy Atoms | 27 |
| Complexity | 1002.8263 |
Chemical Identifiers
| CAS Number | 219612-55-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=NN2C(=NNC2=S)C3=CC=C(C=C3)Cl |
Product Overview
5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol (CAS 219612-55-2), with molecular formula C18H17ClN4O3S and molecular weight 404.07 g/mol. IUPAC: 3-(4-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.16909 indicates that 5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 6 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-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol is 219612-55-2.
What is the molecular formula of 5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol is C18H17ClN4O3S.
What is the molecular weight of 5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol is 404.07 g/mol.
Where can I buy 5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)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-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorophenyl)-4-[(3,4,5-trimethoxybenzylidene)amino]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.