![3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one structure](/static/products/672/672339-71-8.png)
3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one
TL;DR: 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one (CAS 672339-71-8) is a chemical compound with molecular formula C13H11N5OS and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one
Also Known As: BAS 07779020, 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one, 6-(5-mercapto-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)pyridazin-3(2H)-one, 6-(5-Mercapto-4-o-tolyl-4H-[1,2,4]triazol-3-yl)-2H-pyridazin-3-one, 6-[4-(2-methylphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one
| Molecular Formula | C13H11N5OS |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 1.98861 |
| Topological Polar Surface Area | 79.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.06842 |
| Heavy Atoms | 20 |
| Complexity | 856.2132 |
Chemical Identifiers
| CAS Number | 672339-71-8 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NNC2=S)C3=NNC(=O)C=C3 |
Product Overview
3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one (CAS 672339-71-8), with molecular formula C13H11N5OS and molecular weight 285.07 g/mol. IUPAC: 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one.
Chemical Property Profile of 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one
Property Insights of 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one
The XLogP value of 1.98861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one. The TPSA of 79.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one. Following Lipinski's Rule of Five, 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one has 2 hydrogen bond donor(s) and 4 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 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one?
The CAS number of 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one is 672339-71-8.
What is the molecular formula of 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one?
The molecular formula of 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one is C13H11N5OS.
What is the molecular weight of 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one?
The molecular weight of 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one is 285.07 g/mol.
Where can I buy 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one?
You can request a quote for 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.