40183-55-9

Basic information

• Product Name: 2-(BENZYLTHIO)-4-CHLOROBENZOIC ACID CHLORIDE
• Synonyms: 2-(BENZYLTHIO)-4-CHLOROBENZOIC ACID CHLORIDE;2-(Benzylthio)-4-chlorobenzoyl Chloride;4-Chloro-2-[(phenylMethyl)thio]benzoyl Chloride
• CAS NO: 40183-55-9
• Molecular Formula: C₁₄H₁₀Cl₂OS
• Molecular Weight: 297.1996
• Product Categories: Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds;Heterocycles, Pharmaceuticals, Intermediates & Fine Chemicals, Sulfur & Selenium Compounds
• Mol File: 40183-55-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 398.848°C at 760 mmHg
• Flash Point: 195.017°C
• Appearance: /
• Density: 1.373g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.646
• Solubility: Chloroform, Dichloromethane, Ethyl Acetate
• CAS DataBase Reference: 2-(BENZYLTHIO)-4-CHLOROBENZOIC ACID CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(BENZYLTHIO)-4-CHLOROBENZOIC ACID CHLORIDE(40183-55-9)
• EPA Substance Registry System: 2-(BENZYLTHIO)-4-CHLOROBENZOIC ACID CHLORIDE(40183-55-9)

Safety Data

• Hazardous Substances Data: 40183-55-9(Hazardous Substances Data)

Usage

Chemical Properties

Pale Yellow Solid

InChI:InChI=1/C14H10Cl2OS/c15-11-6-7-12(14(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h1-8H,9H2

Upstream product

• 100-53-8 phenylmethanethiol 
• 40183-35-5 2-(benzylthio)-4-chlorobenzoic acid 
• 50-84-0 2,4 dichlorobenzoic acid 

Downstream Products

• 131540-87-9 6-chloro-1,2-benzisothiazol-3-yl piperazine 
• 70-10-0 3-hydroxy-6-chloro-1,2-benzisothiazole 

Relevant articles and documents

Synthesis and pharmacological characterization of novel N-(trans-4-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)cyclohexyl)amides as potential multireceptor atypical antipsychotics

A series of novel benzisothiazolylpiperazine derivatives combining potent dopamine D2and D3, and serotonin 5-HT1Aand 5-HT2Areceptor properties were synthesized and evaluated for their potential antipsychotic properties. The most-promising derivative was 9j. The unique pharmacological features of 9j were a high affinity for D2, D3, 5-HT1A, and 5-HT2Areceptors, together with a 20-fold selectivity for the D3versus D2subtype, and a low affinity for muscarinic M1(reducing the risk of anticholinergic side effects), and for hERG channels (reducing incidence of QT interval prolongation). In animal behavioral models, 9j inhibited the locomotor-stimulating effects of phencyclidine, blocked conditioned avoidance response, and improved the cognitive deficit in the novel object recognition tests in rats. 9j exhibited a low potential for catalepsy, consistent with results with risperidone. In addition, favorable brain penetration of 9j in rats was detected. These studies have demonstrated that 9j is a potential atypical antipsychotic candidate.