6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
TL;DR: 6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one (CAS 27623-05-8) is a chemical compound with molecular formula C10H9N3OS and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylphenyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
Also Known As: 6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one, 6-(4-methylphenyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one, 3-Thioxo-6-(p-tolyl)-3,4-dihydro-1,2,4-triazin-5(2H)-one, 6-(p-tolyl)-3-thioxo-2H-1,2,4-triazin-5-one, 6-(4-methylphenyl)-3-sulfanyl-4,5-dihydro-1,2,4-triazin-5-one
| Molecular Formula | C10H9N3OS |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.80291 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.04663 |
| Heavy Atoms | 15 |
| Complexity | 582.60675 |
Chemical Identifiers
| CAS Number | 27623-05-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NNC(=S)NC2=O |
Product Overview
6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one (CAS 27623-05-8), with molecular formula C10H9N3OS and molecular weight 219.05 g/mol. IUPAC: 6-(4-methylphenyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one.
Chemical Property Profile of 6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
Property Insights of 6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
The XLogP value of 1.80291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one. Following Lipinski's Rule of Five, 6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one has 2 hydrogen bond donor(s) and 3 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 6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one?
The CAS number of 6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one is 27623-05-8.
What is the molecular formula of 6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one?
The molecular formula of 6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one is C10H9N3OS.
What is the molecular weight of 6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one?
The molecular weight of 6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one is 219.05 g/mol.
Where can I buy 6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one?
You can request a quote for 6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-methylphenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.