18619-18-6

Basic information

• Product Name: o-chlorophenylthioacetate
• Synonyms: ((2-chlorophenyl)thio)-aceticaci;((o-chlorophenyl)thio)-aceticaci;o-chlorophenylthioacetate
• CAS NO: 18619-18-6
• Molecular Formula: C₈H₇ClO₂S
• Molecular Weight: 186.65858
• Mol File: 18619-18-6.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 332.4°Cat760mmHg
• Flash Point: 154.8°C
• Appearance: /
• Density: 1.41g/cm³
• Vapor Pressure: 5.81E-05mmHg at 25°C
• CAS DataBase Reference: o-chlorophenylthioacetate(CAS DataBase Reference)
• NIST Chemistry Reference: o-chlorophenylthioacetate(18619-18-6)
• EPA Substance Registry System: o-chlorophenylthioacetate(18619-18-6)

Safety Data

• Hazardous Substances Data: 18619-18-6(Hazardous Substances Data)

Usage

General Description

O-chlorophenylthioacetate is a chemical compound with the molecular formula C8H7ClO2S. It is a thioester derived from chlorobenzene and acetic acid, and it is commonly used as a reagent in organic synthesis. O-chlorophenylthioacetate is a colorless to light yellow liquid with a garlic-like odor, and it is soluble in organic solvents such as ethanol and ether. o-chlorophenylthioacetate is known for its potential use in the production of pharmaceuticals and agrochemicals, as well as in the synthesis of other organic compounds. However, O-chlorophenylthioacetate should be handled with caution as it is corrosive and may cause skin and eye irritation upon contact.

InChI:InChI=1/C8H7ClO2S/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H,10,11)/p-1

Upstream product

• 694-80-4 2-bromo-1-chlorobenzene 
• 6320-03-2 2-chlorothiphenol 
• 95-51-2 o-chloroaniline 
• 105-36-2 ethyl bromoacetate 
• 68-11-1 mercaptoacetic acid 
• 140-89-6 potassium ethyl xanthogenate 
• 79-11-8 chloroacetic acid 
• 94-56-4 2-aminophenylthioacetic acid 
• 3926-62-3 sodium monochloroacetic acid 

Relevant articles and documents

Discovery of Novel UDP- N-Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa

This study describes a novel series of UDP-N-acetylglucosamine acyltransferase (LpxA) inhibitors that was identified through affinity-mediated selection from a DNA-encoded compound library. The original hit was a selective inhibitor of Pseudomonas aeruginosa LpxA with no activity against Escherichia coli LpxA. The biochemical potency of the series was optimized through an X-ray crystallography-supported medicinal chemistry program, resulting in compounds with nanomolar activity against P. aeruginosa LpxA (best half-maximal inhibitory concentration (IC50) 20 μM and MIC > 128 μg/mL). The mode of action of analogues was confirmed through genetic analyses. As expected, compounds were active against multidrug-resistant isolates. Further optimization of pharmacokinetics is needed before efficacy studies in mouse infection models can be attempted. To our knowledge, this is the first reported LpxA inhibitor series with selective activity against P. aeruginosa.

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ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS

Compounds and compositions for the delivery of active agents are provided. Methods of administration and preparation are also provided.