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3-Bromo-thiobenzamide, with the molecular formula C7H6BrNOS, is a brominated derivative of thiobenzamide. It is a significant building block in the synthesis of pharmaceutical and agrochemical products, serving as a reagent in chemical reactions and an intermediate for other organic compounds. This versatile chemical is instrumental in organic chemistry and drug discovery, with potential applications in new drug development and the study of biological processes and molecular interactions.

2227-62-5

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2227-62-5 Usage

Uses

Used in Pharmaceutical Research:
3-Bromo-thiobenzamide is used as a key building block for the production of various pharmaceutical products. Its unique structure and reactivity make it valuable in the synthesis of new drugs, contributing to the development of innovative treatments for various diseases.
Used in Agrochemical Production:
In the agrochemical industry, 3-Bromo-thiobenzamide is utilized as a crucial component in the creation of effective and safe agrochemicals. Its role in the synthesis of these products helps address challenges in agriculture, such as pest control and crop protection.
Used in Organic Synthesis:
3-Bromo-thiobenzamide is employed as a reagent in various organic synthesis processes. Its ability to participate in a range of chemical reactions makes it a valuable tool for creating new organic compounds with diverse applications.
Used in Chemical Reactions:
As an intermediate in the synthesis of other organic compounds, 3-Bromo-thiobenzamide plays a pivotal role in chemical reactions. Its involvement in these processes is essential for the production of a wide array of organic substances with specific properties and uses.
Used in Drug Discovery:
3-Bromo-thiobenzamide has potential applications in the development of new drugs. Its unique chemical properties and reactivity make it a promising candidate for the creation of novel therapeutic agents, enhancing the discovery of effective treatments for various medical conditions.
Used in the Study of Biological Processes and Molecular Interactions:
This chemical compound is also utilized in the investigation of biological processes and molecular interactions. Its involvement in these studies aids in understanding complex biological phenomena and contributes to the advancement of scientific knowledge in the field.

Check Digit Verification of cas no

The CAS Registry Mumber 2227-62-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,2,2 and 7 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 2227-62:
(6*2)+(5*2)+(4*2)+(3*7)+(2*6)+(1*2)=65
65 % 10 = 5
So 2227-62-5 is a valid CAS Registry Number.
InChI:InChI=1/C7H6BrNS/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)

2227-62-5 Well-known Company Product Price

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  • Aldrich

  • (684813)  3-Bromothiobenzamide  97%

  • 2227-62-5

  • 684813-1G

  • 875.16CNY

  • Detail
  • Aldrich

  • (684813)  3-Bromothiobenzamide  97%

  • 2227-62-5

  • 684813-5G

  • 2,992.86CNY

  • Detail

2227-62-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-bromobenzenecarbothioamide

1.2 Other means of identification

Product number -
Other names 3-BROMOBENZOTHIOAMIDE

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 -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:2227-62-5 SDS

2227-62-5Relevant academic research and scientific papers

Substituted biaryl oxazoles, imidazoles, and thiazoles as sodium channel blockers

Tyagarajan, Sriram,Chakravarty, Prasun K.,Zhou, Bishan,Fisher, Michael H.,Wyvratt, Mathew J.,Lyons, Kathy,Klatt, Tracy,Li, Xiaohua,Kumar, Sanjeev,Williams, Brande,Felix, John,Priest, Birgit T.,Brochu, Richard M.,Warren, Vivien,Smith, McHardy,Garcia, Maria,Kaczorowski, Gregory J.,Martin, William J.,Abbadie, Catherine,McGowan, Erin,Jochnowitz, Nina,Parsons, William H.

, p. 5536 - 5540 (2010)

Voltage-gated sodium channels have been shown to play a critical role in neuropathic pain. With a goal to develop potent peripherally active sodium channel blockers, a series of low molecular weight biaryl substituted imidazoles, oxazoles, and thiazole ca

Aerobic Visible-Light Induced Intermolecular S?N Bond Construction: Synthesis of 1,2,4-Thiadiazoles from Thioamides under Photosensitizer-Free Conditions

Wang, Hui,Xie, Shihua,Zhu, Hongjun,Zhuo, Liang

supporting information, p. 3398 - 3402 (2021/06/25)

Aerobic visible-light induced intermolecular S?N bond construction has been achieved without the addition of photosensitizer, metal, or base. With this strategy, 1,2,4-thiadiazoles can be obtained from thioamides. Preliminary mechanistic investigation suggested that the excited state of thioamides undergoes a single-electron-transfer (SET) process to afford thioamidyl radicals, which can be further transformed into a 1,2,4-thiadiazole through desulfurization and oxidative cyclization. The reaction has good functional group tolerance and represents a green method for the construction of S?N bonds.

TYK2 INHIBITORS AND USES THEREOF

-

Paragraph 00514, (2020/06/19)

The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of TYK2, and the treatment of TYK2-mediated disorders.

Synthesis, crystal structure, anti-HIV, and antiproliferative activity of new oxadiazole and thiazole analogs

Khan, Mahmood-ul-Hassan,Hameed, Shahid,Akhtar, Tashfeen,Al-Masoudi, Najim A.,Al-Masoudi, Wasfi A.,Jones, Peter G.,Pannecouque, Christophe

, p. 2399 - 2409 (2016/10/25)

A series of 2-adamantyl-5-arylthiazolyl-1,3,4-oxadiazoles 7a–x together with thiazoles 13 and 14 were synthesized. Compounds 7a–l, 13, and 14 were tested in vitro with the aim of identifying novel lead compounds active against human immunodeficiency virus type-1 and human immunodeficiency virus type-2 activity in MT-4 cells. Title compounds were also tested against representatives of Gram-positive and Gram-negative bacteria (Staphylococcus aureus, Salmonella spp.), various mycobacterial strains (Mycobacterium fortuitum and Mycobacterium smegmatis), yeast (Candida albicans), and mold (Aspergillus fumigatus). None of the compounds showed antiviral or antimicrobial activity, except compounds 13 and 14 exhibited anti-human immunodeficiency virus-1 activity with EC50 values of 1.79 and 2.39 μM with Selectivity index = 18 and 4, respectively. On the other hand, compounds 7a and 7j showed a marked cytotoxicity against the human CD4+ lymphocytes (MT-4). Therefore, 7a and 7j were evaluated for their antiproliferative activity against two solid tumor-derived cell lines, which exhibited IC50 values of 8.1 ± 0.10 μM and 4.8 ± 0.08 μM against Hep-G2 cell lines, respectively.

Metal-free, one-pot oxidative conversion of aldehydes to primary thioamides in aqueous media

Yadav, Arvind K.,Srivastava, Vishnu P.,Yadav, Lal Dhar S.

, p. 408 - 416 (2014/01/06)

One-pot tandem reactions of a variety of aldehydes with aqueous ammonia, molecular iodine, and O,O-diethyl dithiophosphoric acid readily afford the corresponding primary thioamides. This is an inexpensive, practical, and metal-free way of accessing various thioamides from aldehydes in aqueous media. The pure products are obtained simply by filtration followed by successive washing with aqueous sodium thiosulfate and water. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications for the following free supplemental resource(s): Full experimental and spectral details.]

A novel process for the synthesis of 3,5-diaryl-1,2,4-thiadiazoles from aryl nitriles

Noei, Jalil,Khosropour, Ahmad Reza

supporting information, p. 9 - 11 (2013/02/21)

A novel and efficient process for the synthesis of 3,5-diaryl-1,2,4- thiadiazoles from aryl nitriles in 1-butyl-3-methylimidazolium bromide promoted by (NH4)2S and TCT-DMSO is described.

Efficient and green protocol for the synthesis of thioamides in C 6 (mim)2Cl2 as a dicationic ionic liquid

Khosropour,Noei,Mirjafari

experimental part, p. 752 - 758 (2010/11/04)

A simple, efficient, facile and eco-friendly process for the synthesis of thioamides from nitriles using 1,6-bis(3methylimidazolium-1-yl)hexane chloride [C6(mim)2Cl2] as a dicationic ionic liquid (DIL) was developed. The ionic liquid was easily separated from the reaction mixture and was recycled at least four times without any loss of its activity.

The BF3·OEt2-assisted conversion of nitriles into thioamides with Lawesson's reagent

Nagl, Michael,Panuschka, Claudia,Barta, Andrea,Schmid, Walther

experimental part, p. 4012 - 4018 (2009/05/27)

A method for the thiolysis of nitriles by applying Lawesson's reagent and facilitated by the addition of boron trifluoride-diethyl ether complex is reported. The method opens an easy access to primary thioamides. Aromatic, benzylic, and aliphatic nitriles were converted into the corresponding thioamides in high to quantitative yields (even in unfavorable cases, e.g., ortho-substitut-ed benzonitriles). The reaction was performed in 1,2-dimethoxyethane-tetrahydrofuran or toluene-diethyl ether solvent mixtures at 20-50°C, and exhibited considerable selectivity in the case of multifunctional nitrile substrates, such as cyanomethyl N-acetylphenylalaninate, benzoylacetonitrile, 4-cyanobenzamide, 4-acetylbenzonitrile, or pent-3-enenitrile. Georg Thieme Verlag Stuttgart.

BIARYL SUBSTITUTED THIAZOLES, OXAZOLES AND IMIDAZOLES AS SODIUM CHANNEL BLOCKERS

-

Page 38, (2010/02/09)

Biaryl substituted thiazole, oxazole and imidazole compounds are sodium channel blockers useful for the treatment of pain. Pharmaceutical compositions comprise an effective amount of the instant compounds, either alone, or in combination with one or more

Histamine H1 receptor ligands. Part I. Novel thiazol-4-ylethanamine derivatives: Synthesis and in vitro pharmacology

Walczynski,Timmerman,Zuiderveld,Zhang,Glinka

, p. 533 - 541 (2007/10/03)

A series of 2-substituted thiazol-4-ylethanamines have been synthesized and tested for their histaminergic H1-receptor activities. The compounds with 2-phenyl substitution, regardless of the different physicochemical properties of the meta-substituents at the phenyl ring, showed weak H1-agonistic activity with pD2 values ranging from 4.35 to 5.36. When the phenyl group was replaced by a benzyl group, the resulting compounds all exhibited weak H1-antagonistic activity (pA2: 4.14-4.82). Copyright (C) 1999 Elsevier Science S.A.

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