67442-91-5

Basic information

• Product Name: 1-MERCAPTO-4-(3-METHYLPHENYL)[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE
• Synonyms: [1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, 1-mercapto-4-(3-methylphenyl)-; 1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one; 4-(3-Methylphenyl)-1-sulfanyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
• CAS NO: 67442-91-5
• Molecular Formula: C₁₆H₁₂N₄OS
• Molecular Weight: 308.36
• Mol File: 67442-91-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 475.1°C at 760 mmHg
• Flash Point: 241.1°C
• Appearance: /
• Density: 1.45g/cm³
• Vapor Pressure: 3.41E-09mmHg at 25°C
• Refractive Index: 1.768
• CAS DataBase Reference: 1-MERCAPTO-4-(3-METHYLPHENYL)[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-MERCAPTO-4-(3-METHYLPHENYL)[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE(67442-91-5)
• EPA Substance Registry System: 1-MERCAPTO-4-(3-METHYLPHENYL)[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE(67442-91-5)

Safety Data

• Hazardous Substances Data: 67442-91-5(Hazardous Substances Data)

Usage

Molecular structure

1-Mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one has a complex molecular structure that includes a mercapto group, a quinazolinone ring, a triazolo ring, and a methylphenyl group.

Mercapto group

The mercapto group (also known as a thiol group) is a chemical group consisting of a sulfur atom bonded to a hydrogen atom. It is known for its strong smell and its ability to form covalent bonds with other molecules.

Quinazolinone ring

The quinazolinone ring is a chemical structure that is a part of the larger molecule. It is a five-membered ring system that includes an oxygen atom and a nitrogen atom.

Triazolo ring

The triazolo ring is another five-membered ring system that is part of the complex molecular structure of the compound. It consists of three nitrogen atoms and two carbon atoms.

Methylphenyl group

The methylphenyl group is an aromatic ring system that includes a methyl group (a carbon atom bonded to three hydrogen atoms) attached to a phenyl ring (a six-membered ring system with alternating single and double bonds).

Pharmacological and medicinal applications

1-Mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is of interest for its potential pharmacological and medicinal applications due to its variety of biological activities.

Biological activities

The compound exhibits a range of biological activities, including potential as an anti-cancer, anti-inflammatory, or antimicrobial agent.

Further research

Further research into the properties and potential uses of 1-Mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is warranted to fully understand its potential as a therapeutic agent.

InChI:InChI=1/C16H12N4OS/c1-10-5-4-6-11(9-10)19-14(21)12-7-2-3-8-13(12)20-15(19)17-18-16(20)22/h2-9H,1H3,(H,18,22)

Upstream product

• 463-71-8 thiophosgene 
• 67443-13-4 2-hydrazino-3-(3-methylphenyl)quinazolin-4(3H)-one 

Downstream Products

• 569336-27-2 1-oxo-N²-(2',3',4',6'-tetra-O-acetyl-β-D-glucopyranosyl)-4-(m-tolyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one 
• 569336-43-2 1-oxo-N²-(2',3',4'-tri-O-acetyl-β-D-xylopyranosyl)-4-(m-tolyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one 
• 569336-23-8 N²-(2',3',4',6'-tetra-O-acetyl-β-D-glucopyranosyl)-1-thioxo-4-(m-tolyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one 
• 569336-39-6 N²-(2',3',4'-tri-O-acetyl-β-D-xylopyranosyl)-1-thioxo-4-(m-tolyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one 

Relevant articles and documents

Synthesis of compounds with aminoguanidine structure. Part VIII: 1,4,7,9-substituted 4,5-dihydro-s-triazolo[4,3-a] quinazolin-5-ones and 4,5-dihydrotetrazolo[1,5-a] quinazolin-5-ones

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