458-05-9

Basic information

• Product Name: 1-(3-FLUOROPHENYL)-2-THIOUREA
• Synonyms: 3-FLUOROPHENYLTHIOUREA;1-(3-FLUOROPHENYL)-2-THIOUREA;SALOR-INT L479020-1EA;3-Fluorophenylthiourea,99%;1-(3-Fluorophenyl)-2-thiourea98%;1-(m-Fluorophenyl)thiourea;1-(3-Fluorophenyl)-2-thiourea, 98% 1GR;1-Fluoro-3-thioureidobenzene, 1-(Carbamothioylamino)-3-fluorobenzene
• CAS NO: 458-05-9
• Molecular Formula: C₇H₇FN₂S
• Molecular Weight: 170.21
• Product Categories: Sulphur Derivatives;Organic Building Blocks;Sulfur Compounds;Thioureas
• Mol File: 458-05-9.mol
• Article Data: 16

Chemical Properties

• Melting Point: 114-117 °C(lit.)
• Boiling Point: 259.3 °C at 760 mmHg
• Flash Point: 110.6 °C
• Appearance: almost white fine crystalline powder
• Density: 1.397 g/cm³
• Vapor Pressure: 0.0131mmHg at 25°C
• Refractive Index: 1.692
• PKA: 12.61±0.70(Predicted)
• BRN: 2718454
• CAS DataBase Reference: 1-(3-FLUOROPHENYL)-2-THIOUREA(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-FLUOROPHENYL)-2-THIOUREA(458-05-9)
• EPA Substance Registry System: 1-(3-FLUOROPHENYL)-2-THIOUREA(458-05-9)

Safety Data

• Hazard Codes: T,Xi
• Statements: 25-36/37/38
• Safety Statements: 26-36-45
• RIDADR: UN 2811 6.1/PG 3
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: II
• Hazardous Substances Data: 458-05-9(Hazardous Substances Data)

Usage

Chemical Properties

almost white fine crystalline powder

InChI:InChI=1/C7H7FN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)

Upstream product

• 82635-62-9 1-benzoyl-3-(3-flourophenyl)thiourea 
• 372-19-0 meta-fluoroaniline 
• 98-88-4 benzoyl chloride 
• 540-72-7 sodium thiocyanide 
• 1147550-11-5 ammonium thiocyanate 
• 404-72-8 3-fluorophenyl isothiocyanate 

Downstream Products

• 1189379-06-3 S-methyl-3-fluorophenylisothiourea hydroiodide 
• 958941-29-2 C₂₀H₁₅FN₄OS₂ 
• 953777-41-8 6-amino-1-(3-fluorophenyl)-5-nitroso-2-thioxo-2,3-dihydropyrimidin-4(1H)-one 
• 953777-42-9 5,6-diamino-1-(3-fluorophenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one 
• 496052-56-3 N-(3-fluorophenyl)thiazol-2-amine 

Relevant articles and documents

Convenient one-pot formation of highly functionalized 5-bromo-2-aminothiazoles, potential endocannabinoid hydrolase MAGL inhibitors

Highly functionalized 5-bromo-2-amino-1,3-thiazoles bearing various substituents could be easily prepared by a rapid and efficient one-pot method, using simple starting materials and mild conditions while avoiding the use of metal catalysts or inconvenient reagents such as elemental halogens. These useful products can serve as starting materials for other reactions or as pharmacologically interesting compounds. In our work we have shown that the resulting 5-bromothiazole compounds could lead to monoacylglycerol lipase (MAGL) inhibition in the μM range.

PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING FOOT-AND-MOUTH DISEASE

The present invention refers to benzothiazole derivatives and its pharmaceutically acceptable salt as active ingredients opening including inverse number relates to a pharmaceutical composition for treating or preventing is. In addition, opening the present invention refers to treatment or prevention of inverse number relates to method. (by machine translation)

Structure-activity relationships of 2-aminothiazoles effective against Mycobacterium tuberculosis

A series of 2-aminothiazoles was synthesized based on a HTS scaffold from a whole-cell screen against Mycobacterium tuberculosis (Mtb). The SAR shows the central thiazole moiety and the 2-pyridyl moiety at C-4 of the thiazole are intolerant to modification. However, the N-2 position of the aminothiazole exhibits high flexibility and we successfully improved the antitubercular activity of the initial hit by more than 128-fold through introduction of substituted benzoyl groups at this position. N-(3-Chlorobenzoyl)-4-(2-pyridinyl) -1,3-thiazol-2-amine (55) emerged as one of the most promising analogues with a MIC of 0.024 μM or 0.008 μg/mL in 7H9 media and therapeutic index of nearly ～300. However, 55 is rapidly metabolized by human liver microsomes (t1/2 = 28 min) with metabolism occurring at the invariant aminothiazole moiety and Mtb develops spontaneous low-level resistance with a frequency of ～10-5.