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2-MERCAPTO-6-PHENYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE is a chemical compound with the molecular formula C15H9F3N2S. It is a derivative of nicotinonitrile, featuring a trifluoromethyl group, a phenyl group, and a mercapto group attached to the 6th carbon atom. 2-MERCAPTO-6-PHENYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE is recognized for its potential pharmacological activities and is utilized as a key intermediate in the synthesis of various heterocyclic compounds, which are of interest in organic synthesis and pharmaceutical research.

104960-49-8

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104960-49-8 Usage

Uses

Used in Pharmaceutical Research:
2-MERCAPTO-6-PHENYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE is used as a key intermediate for the preparation of heterocyclic compounds, which are often found in pharmaceuticals. Its unique structure allows for the development of new drugs with potential applications in treating various diseases.
Used in Organic Synthesis:
In the field of organic synthesis, 2-MERCAPTO-6-PHENYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE serves as a building block for creating complex organic molecules. Its versatility in forming different chemical bonds makes it valuable for synthesizing a wide range of compounds.
Used in Antifungal Applications:
2-MERCAPTO-6-PHENYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE is used as an antifungal agent, leveraging its pharmacological properties to combat fungal infections. Its effectiveness in this area is under study, with potential applications in medicine and agriculture.
Used in Anti-inflammatory Applications:
2-MERCAPTO-6-PHENYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE is also being studied for its anti-inflammatory properties, which could make it useful in the development of treatments for inflammatory conditions. Its potential to modulate inflammatory responses is of interest to researchers in the medical field.
Used in Agrochemicals:
2-MERCAPTO-6-PHENYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE is used as a building block in the synthesis of agrochemicals, contributing to the development of pesticides and other agricultural chemicals that can protect crops from pests and diseases.

Check Digit Verification of cas no

The CAS Registry Mumber 104960-49-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,4,9,6 and 0 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 104960-49:
(8*1)+(7*0)+(6*4)+(5*9)+(4*6)+(3*0)+(2*4)+(1*9)=118
118 % 10 = 8
So 104960-49-8 is a valid CAS Registry Number.
InChI:InChI=1/C13H7F3N2S/c14-13(15,16)10-6-11(8-4-2-1-3-5-8)18-12(19)9(10)7-17/h1-6H,(H,18,19)

104960-49-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
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More Details:104960-49-8 SDS

104960-49-8Relevant academic research and scientific papers

Discovery and structure-activity relationships study of novel thieno[2,3-b]pyridine analogues as hepatitis C virus inhibitors

Wang, Ning-Yu,Zuo, Wei-Qiong,Xu, Ying,Gao, Chao,Zeng, Xiu-Xiu,Zhang, Li-Dan,You, Xin-Yu,Peng, Cui-Ting,Shen, Yang,Yang, Sheng-Yong,Wei, Yu-Quan,Yu, Luo-Ting

supporting information, p. 1581 - 1588 (2014/03/21)

Current treatment for hepatitis C is barely satisfactory, there is an urgent need to develop novel agents for combating hepatitis C virus infection. This study discovered a new class of thieno[2,3-b]pyridine derivatives as HCV inhibitors. First, a hit compound characterized by a thienopyridine core was identified in a cell-based screening of our privileged small molecule library. And then, structure activity relationship study of the hit compound led to the discovery of several potent compounds without obvious cytotoxicity in vitro (12c, EC50 = 3.3 μM, SI >30.3, 12b, EC50 = 3.5 μM, SI >28.6, 10l, EC50 = 3.9 μM, SI >25.6, 12o, EC 50 = 4.5 μM, SI >22.2, respectively). Although the mechanism of them had not been clearly elucidated, our preliminary optimization of this class of compounds had provided us a start point to develop new anti-HCV agents.

SYNTHESIS, PROPERTIES, AND X-RAY DIFFRACTION STUDY OF 4-TRIFLUOROMETHYL-6-PHENYL-2-CHLORO-3-CYANOPYRIDINE

Guttsait, A. V.,Belyakov, S. V.,Mishnev, A. F.,Bleidelis, Ya. Ya.,Gudrinietse, E. Yu.

, p. 986 - 989 (2007/10/02)

4-Trifluoromethyl-6-phenyl-2-chloro-3-cyanopyridine was synthesized, and its molecular-crystal structure was established.The chlorine atom was replaced by amino, mercapto, thiocyanato, and azido groups.The possibility of the direct amination of 4-trifluor

CYCLIZATION OF NITRILES. XVIII. SYNTHESIS AND SOME TRANSFORMATIONS OF 6-ARYL-4-TRIFLUOROMETHYL-3-CYANO-2(1H)-PYRIDINETHIONES

Rodinovskaya, L. A.,Sharanin, Yu. A.,Litvinov, V. P.,Shestopalov, A. M.,Promonenkov, V. K.,et al.

, p. 2230 - 2235 (2007/10/02)

The reaction of 3-benzoyl- and 3-(2-thenoyl)-1,1,1-trifluoroacetone and also of 1-benzoyl- and 1-(2-thenoyl)-2-(1-morpholino)-3,3,3-trifluoro-1-propenes with cyanothioacetamide provides a convenient method for the production of 6-phenyl- and 6-(2-thienyl)-4-trifluoromethyl-3-cyano-2(1H)-pyridine thiones, which are used in the synthesis of substituted 3-aminothienopyridines and other condensed heterocyclic systems.

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