![5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol structure](/static/products/103/1037568-35-6.webp)
5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol (CAS 1037568-35-6) is a chemical compound with molecular formula C19H16N6OS and molecular weight 376.11063 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-methyl-1H-pyrazol-3-yl)-4-[(E)-(3-phenoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol, (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-((3-phenoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(5-methyl-1H-pyrazol-3-yl)-4-[(E)-(3-phenoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-[(1E)-2-(3-phenoxyphenyl)-1-azavinyl]-5-(3-methylpyrazol-5-yl)-1,2,4-triazol e-3-thiol
Technical Specifications
| Molecular Formula | C19H16N6OS |
| Molecular Weight | 376.11063 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.11063 Da |
| Heavy Atoms | 27 |
| Complexity | 591.0 |
| SMILES | CC1=CC(=NN1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)OC4=CC=CC=C4 |
| InChIKey | BTQDFZPKFKIFFA-UDWIEESQSA-N |
Chemical Property Profile of 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.8 indicates that 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol has 2 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 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol is 1037568-35-6.
What is the molecular formula of 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol is C19H16N6OS.
What is the molecular weight of 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol is 376.11063 g/mol.
Where can I buy 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-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 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(5-methyl-1H-pyrazol-3-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.