(E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 497921-77-4) is a chemical compound with molecular formula C19H20N4O3S and molecular weight 384.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(2,4-dimethoxyphenyl)-1-azavinyl]-5-(3-ethoxyphenyl)-1,2,4-triazole- 3-thiol, 4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(2,4-dimethoxyphenyl)methylidene]amino}-5-(3-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-{[(E)-(2,4-DIMETHOXYPHENYL)METHYLIDENE]AMINO}-5-(3-ETHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Technical Specifications
| Molecular Formula | C19H20N4O3S |
| Molecular Weight | 384.1256 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 99.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.1256 Da |
| Heavy Atoms | 27 |
| Complexity | 571.0 |
| SMILES | CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=C(C=C(C=C3)OC)OC |
| InChIKey | CFUCWAPTEUCIKW-UDWIEESQSA-N |
Chemical Property Profile of (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.5 indicates that (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-ethoxyphenyl)-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
What is the CAS number of (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 497921-77-4.
What is the molecular formula of (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol is C19H20N4O3S.
What is the molecular weight of (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 384.1256 g/mol.
Where can I buy (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-4-((2,4-dimethoxybenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for (E)-4-((2,4-dimethoxybenzylidene)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.