4-((3,4-Dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-YL hydrosulfide
TL;DR: 4-((3,4-Dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-YL hydrosulfide (CAS 1630031-23-0) is a chemical compound with molecular formula C17H16N4O2S and molecular weight 340.0994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3,4-dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-((3,4-DIMETHOXYBENZYLIDENE)AMINO)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE, 4-[(3,4-dimethoxyphenyl)methylideneamino]-5-phenyl-2H-1,2,4-triazole-3-thione, 4-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione, 4-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Technical Specifications
| Molecular Formula | C17H16N4O2S |
| Molecular Weight | 340.0994 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.0994 Da |
| Heavy Atoms | 24 |
| Complexity | 505.0 |
| SMILES | COC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3)OC |
| InChIKey | DQZNQMXVSLTZME-WOJGMQOQSA-N |
Chemical Property Profile of 4-((3,4-Dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-YL hydrosulfide
Property Insights of 4-((3,4-Dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-YL hydrosulfide
The XLogP value of 3.2 indicates that 4-((3,4-Dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-YL hydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3,4-Dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-YL hydrosulfide. Following Lipinski's Rule of Five, 4-((3,4-Dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-YL hydrosulfide 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 4-((3,4-Dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-YL hydrosulfide?
The CAS number of 4-((3,4-Dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-YL hydrosulfide is 1630031-23-0.
What is the molecular formula of 4-((3,4-Dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular formula of 4-((3,4-Dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-YL hydrosulfide is C17H16N4O2S.
What is the molecular weight of 4-((3,4-Dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-YL hydrosulfide?
The molecular weight of 4-((3,4-Dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-YL hydrosulfide is 340.0994 g/mol.
Where can I buy 4-((3,4-Dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-YL hydrosulfide?
You can request a quote for 4-((3,4-Dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-YL hydrosulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((3,4-Dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-YL hydrosulfide?
Yes, CoreyChem provides custom synthesis services for 4-((3,4-Dimethoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-YL hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.