72505-20-5

Basic information

• Product Name: 3-FLUOROTHIOBENZAMIDE
• Synonyms: 3-FLUOROTHIOBENZAMIDE;Benzenecarbothioamide, 3-fluoro- (9CI);3-FLUOROTHIOBENZAMIDE, 98*;3-fluorobenzothioaMide
• CAS NO: 72505-20-5
• Molecular Formula: C₇H₆FNS
• Molecular Weight: 155.19
• EINECS: 604-604-1
• Product Categories: THIOAMIDE
• Mol File: 72505-20-5.mol
• Article Data: 16

Chemical Properties

• Melting Point: 110 °C
• Boiling Point: 250.5 °C at 760 mmHg
• Flash Point: 105.3 °C
• Appearance: /
• Density: 1.29 g/cm³
• Vapor Pressure: 0.0216mmHg at 25°C
• Refractive Index: 1.623
• Sensitive: Stench
• CAS DataBase Reference: 3-FLUOROTHIOBENZAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-FLUOROTHIOBENZAMIDE(72505-20-5)
• EPA Substance Registry System: 3-FLUOROTHIOBENZAMIDE(72505-20-5)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 72505-20-5(Hazardous Substances Data)

Usage

General Description

3-Fluorothiobenzamide is a chemical compound used in organic synthesis and pharmaceutical research. It is a derivative of benzamide and contains both a fluorine and a sulfur atom. 3-FLUOROTHIOBENZAMIDE has potential applications in the development of new drugs and is being studied for its pharmacological properties. It is important for its potential to be used as a building block in the synthesis of various bioactive molecules and pharmaceutical compounds. The precise properties and potential uses of 3-fluorothiobenzamide are still being explored by researchers in the field.

InChI:InChI=1/C7H6FNS/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)

Upstream product

• 455-37-8 3-fluorobenzamide 
• 403-54-3 m-Fluorobenzonitrile 

Downstream Products

• 1314082-92-2 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1-methyl-1H-7-azaindole 
• 1314082-90-0 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1H-7-azaindole 
• 27423-83-2 2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole 
• 1445753-16-1 2-(3-fluorophenyl)-5-(2-ethyl-2H-tetrazol-5-yl)-1,3-thiazol-4-ol 
• 1445753-00-3 2-(3-fluorophenyl)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-4-ol 
• 948292-06-6 ethyl 2-(3-fluorophenyl)-4-methylthiazole-5-carboxylate 

Relevant articles and documents

Structural and Activity Relationships of 6-Sulfonyl-8-Nitrobenzothiazinones as Antitubercular Agents

The benzothiazinone (BTZ) scaffold compound PBTZ169 kills Mycobacterium tuberculosis by inhibiting the essential flavoenzyme DprE1, consequently blocking the synthesis of the cell wall component arabinans. While extraordinarily potent against M. tuberculosis with a minimum inhibitory concentration (MIC) less than 0.2 ng/mL, its low aqueous solubility and bioavailability issues need to be addressed. Here, we designed and synthesized a series of 6-methanesulfonyl substituted BTZ analogues; further exploration introduced five-member aromatic heterocycles as linkers to attach an aryl group as the side chain. Our work led to the discovery of a number of BTZ derived compounds with potent antitubercular activity. The optimized compounds 6 and 38 exhibited MIC 47 and 30 nM, respectively. Compared to PBTZ169, both compounds displayed increased aqueous solubility and higher stability in human liver microsomes. This study suggested that an alternative side-chain modification strategy could be implemented to improve the druglike properties of the BTZ-based compounds.

Regioselective C-C cross-coupling of 1,2,4-thiadiazoles with maleimides through iridium-catalyzed C-H activation

A regioselective C-C cross-coupling of 1,2,4-thiadiazoles with maleimides through iridium catalysis was developed. This transformation tactically linked the 1,2,4-thiadiazoles and succinimides together, and the novel molecules formed may have potential biological activity.

A simple method for synthesis of thioamides and application in synthesis of 1,2,4-thiadiazoles

A novel, simple protocol is disclosed for the synthesis of 1,2,4-thiadiazoles starting from thioamides with Na2-eosin Y-sensitized titanium dioxide as catalyst through visible light irradiation (7 W blue LED light) and only 0.3 mol% catalysts were used. The raw material thioamides is prepared by aryl nitriles and sodium sulfide (Na2S9H2O) in DMF and in this reaction, readily available, inexpensive inorganic salt (Na2S9H2O) serves as the sulfur source and various functional groups of aryl nitriles were well and thioamides were synthesized successfully in gram-scale.