(E)-4-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS 1360626-74-9) is a chemical compound with molecular formula C15H13N5OS and molecular weight 311.08408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-(3-methoxyphenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3-methoxyphenyl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thiol, 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione, 4-{[(E)-(3-methoxyphenyl)methylidene]amino}-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Technical Specifications
| Molecular Formula | C15H13N5OS |
| Molecular Weight | 311.08408 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 94.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.08408 Da |
| Heavy Atoms | 22 |
| Complexity | 461.0 |
| SMILES | COC1=CC=CC(=C1)/C=N/N2C(=NNC2=S)C3=CC=NC=C3 |
| InChIKey | CQGJVRGZCFBIFJ-LICLKQGHSA-N |
Chemical Property Profile of (E)-4-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 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-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is 1360626-74-9.
What is the molecular formula of (E)-4-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is C15H13N5OS.
What is the molecular weight of (E)-4-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is 311.08408 g/mol.
Where can I buy (E)-4-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-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-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for (E)-4-((3-methoxybenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.