![4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione structure](/static/products/714/714940-55-3.png)
4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione (CAS 714940-55-3) is a chemical compound with molecular formula C15H16N6O2S and molecular weight 344.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione, 4-{[1-(2,3-Dimethoxy-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3 -thiol, (E)-4-((2,3-dimethoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-[(2,3-dimethoxybenzylidene)amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione, 4-[(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H16N6O2S |
|---|---|
| Molecular Weight | 344.11 g/mol |
| LogP | 2.53861 |
| Topological Polar Surface Area | 93.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.10553 |
| Heavy Atoms | 24 |
| Complexity | 939.59 |
Chemical Identifiers
| CAS Number | 714940-55-3 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NNC(=S)N2/N=C/C3=C(C(=CC=C3)OC)OC |
Product Overview
4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione (CAS 714940-55-3), with molecular formula C15H16N6O2S and molecular weight 344.11 g/mol. IUPAC: 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
The XLogP value of 2.53861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione. The TPSA of 93.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione has 2 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 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione is 714940-55-3.
What is the molecular formula of 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione is C15H16N6O2S.
What is the molecular weight of 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione is 344.11 g/mol.
Where can I buy 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.