2524-78-9

Basic information

• Product Name: 3-ACETAMIDOTHIOANISOLE
• Synonyms: n-acetyl-3-methylthio-anilin;n-acetyl-m-methylthioaniline;3-ACETAMIDOTHIOANISOLE;3'-(METHYLTHIO)ACETANILIDE;N-[3-(methylthio)phenyl]-acetamide;3''-(Methylmercapto)-acetanilide;ACETAMIDE,N-[3-(METHYLTHIO)PHENYL];3-ACETAMIDOTHIOANISO
• CAS NO: 2524-78-9
• Molecular Formula: C₉H₁₁NOS
• Molecular Weight: 181.25
• Mol File: 2524-78-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 361.7 °C at 760 mmHg
• Flash Point: 172.6 °C
• Appearance: /
• Density: 1.14 g/cm³
• Vapor Pressure: 2.03E-05mmHg at 25°C
• Refractive Index: 1.578
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 14.68±0.70(Predicted)
• CAS DataBase Reference: 3-ACETAMIDOTHIOANISOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-ACETAMIDOTHIOANISOLE(2524-78-9)
• EPA Substance Registry System: 3-ACETAMIDOTHIOANISOLE(2524-78-9)

Safety Data

• Hazard Codes: Xi
• RTECS: BW7025000
• HazardClass: IRRITANT
• Hazardous Substances Data: 2524-78-9(Hazardous Substances Data)

Usage

General Description

3-Acetamidothioanisole is a chemical compound with the molecular formula C9H11NOS. It exists as a solid at room temperature and is classified as an organic compound, specifically a thioanisole. 3-ACETAMIDOTHIOANISOLE is so named because it features a sulfur atom in its molecular structure, with a side chain featuring an acetamido functional group. Its aromatic ring is due to the presence of a benzene molecule in its structure. It is commonly used for research purposes and is generally not found naturally in the environment. Further information about this chemical, including its specific reactions and uses, is limited and primarily available through specialized databases and scientific literature.

InChI:InChI=1/C9H11NOS/c1-7(11)10-8-4-3-5-9(6-8)12-2/h3-6H,1-2H3,(H,10,11)

Upstream product

• 23905-47-7 bis-(3-acetylamino-phenyl)-disulfide 
• 861377-83-5 acetic acid-(3-methanesulfinyl-anilide) 
• 1783-81-9 3-methylmercaptoaniline 
• 108-24-7 acetic anhydride 

Downstream Products

• 58202-85-0 acetic acid-(3-methanesulfonyl-anilide) 
• 861377-83-5 acetic acid-(3-methanesulfinyl-anilide) 
• 861613-19-6 acetic acid-(2,4-dichloro-5-trichloromethylsulfanyl-anilide) 
• 94855-95-5 3-methylsulfanyl-aniline; hydrochloride 
• 73568-30-6 2-chloro-7-methylsulfanyl-quinoline-3-carbaldehyde 
• 19185-64-9 3-Methylmercapto-4-sulfamoyl-acetanilid 
• 39082-89-8 3(R,S)-(methylsulphinyl)aniline 
• 80213-28-1 3-methylsulfonylaniline hydrochloride 
• 19185-65-0 3-Methylsulfonyl-4-sulfamoyl-acetanilid 

Relevant articles and documents

Synthesis and Herbicidal Activity of Triketone-Quinoline Hybrids as Novel 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors

4-Hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27, HPPD) is one of the most important targets for herbicide discovery. In the search for new HPPD inhibitors with novel scaffolds, triketone-quinoline hybrids were designed and subsequently optimized on the basis of the structure-activity relationship (SAR) studies. Most of the synthesized compounds displayed potent inhibition of Arabidopsis thaliana HPPD (AtHPPD), and some of them exhibited broad-spectrum and promising herbicidal activity at the rate of 150 g ai/ha by postemergence application. Most promisingly, compound III-l, 3-hydroxy-2-(2-methoxy-7-(methylthio)quinoline-3-carbonyl)cyclohex-2-enone (Ki = 0.009 ～M, AtHPPD), had broader spectrum of weed control than mesotrione. Furthermore, compound III-l was much safer to maize at the rate of 150 g ai/ha than mesotrione, demonstrating its great potential as herbicide for weed control in maize fields. Therefore, triketone-quinoline hybrids may serve as new lead structures for novel herbicide discovery.