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2-(Ethylthio)benzoic acid, also known as 2-ethylthiobenzoic acid, is an organic compound with the chemical formula C9H10O2S. It is a derivative of benzoic acid, with the addition of an ethylthio group (-C2H5S) in the ortho position. 2-(ETHYLTHIO)BENZOIC ACID is characterized by its potential anti-inflammatory and analgesic properties, as well as its use as a building block in the synthesis of various pharmaceuticals and agrochemicals. The ethylthio group adds some bulk and steric hindrance, which may impact the compound's reactivity and biological activity.

21101-79-1

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21101-79-1 Usage

Uses

Used in Pharmaceutical Research:
2-(Ethylthio)benzoic acid is used as a building block in the synthesis of various pharmaceuticals and agrochemicals. Its unique structure and properties make it a valuable component in the development of new drugs and chemical compounds.
Used in Organic Synthesis:
2-(Ethylthio)benzoic acid is used as a key intermediate in organic synthesis, allowing for the creation of a wide range of chemical products. Its versatility and reactivity make it an essential component in the synthesis of various organic compounds.
Used in Anti-inflammatory Applications:
2-(Ethylthio)benzoic acid has been studied for its potential anti-inflammatory properties, making it a candidate for use in the development of anti-inflammatory medications and treatments.
Used in Analgesic Applications:
Due to its potential analgesic properties, 2-(ethylthio)benzoic acid may be utilized in the development of pain-relief medications and therapies, providing an alternative to existing analgesics.

Check Digit Verification of cas no

The CAS Registry Mumber 21101-79-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,1,1,0 and 1 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 21101-79:
(7*2)+(6*1)+(5*1)+(4*0)+(3*1)+(2*7)+(1*9)=51
51 % 10 = 1
So 21101-79-1 is a valid CAS Registry Number.
InChI:InChI=1/C9H10O2S/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)

21101-79-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-ethylsulfanylbenzoic acid

1.2 Other means of identification

Product number -
Other names 2-S-ethylmercaptobenzoic acid

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:21101-79-1 SDS

21101-79-1Relevant academic research and scientific papers

Design, synthesis and biological activity of selective hCAs inhibitors based on 2-(benzylsulfinyl)benzoic acid scaffold

Rotondi, Giulia,Guglielmi, Paolo,Carradori, Simone,Secci, Daniela,De Monte, Celeste,De Filippis, Barbara,Maccallini, Cristina,Amoroso, Rosa,Cirilli, Roberto,Akdemir, Atilla,Angeli, Andrea,Supuran, Claudiu T.

, p. 1400 - 1413 (2019/08/26)

A large library of derivatives based on the scaffold of 2-(benzylsulfinyl)benzoic acid were synthesised and tested as atypical inhibitors against four different isoforms of human carbonic anhydrase (hCA I, II, IX and XII, EC 4.2.1.1). The exploration of the chemical space around the main functional groups led to the discovery of selective hCA IX inhibitors in the micromolar/nanomolar range, thus establishing robust structure-activity relationships within this versatile scaffold. HPLC separation of some selected chiral compounds and biological evaluation of the corresponding enantiomers was performed along with molecular modelling studies on the most active derivatives.

DNA binding and antitumor activities of platinum(IV) and zinc(II) complexes with some S-alkyl derivatives of thiosalicylic acid

Besser Silconi, Zana,Benazic, Sasa,Milovanovic, Jelena,Jurisevic, Milena,Djordjevic, Dragana,Nikolic, Milos,Mijajlovic, Marina,Ratkovic, Zoran,Radi?, Gordana,Radisavljevic, Snezana,Petrovic, Biljana,Radosavljevic, Gordana,Milovanovic, Marija,Arsenijevic, Nebojsa

, p. 719 - 729 (2018/07/31)

A series of complexes of platinum(IV) (C1–C5) and zinc(II) (C6–C10) with S-alkyl derivatives of thiosalicylic acid were prepared and characterized. The interactions of the complexes with calf thymus DNA were analyzed by absorption (UV–Vis) and emission spectral studies (ethidium bromide displacement studies). The cytotoxic activities of complexes C1–C10 were determined against mouse B cell lymphocytic leukemia cells (BCL1), human B-prolymphocytic leukemia (JVM-13), mouse mammary carcinoma cells (4T1), and human mammary carcinoma cells (MDA-MB-468) and compared to the activities of the free ligand precursors and cisplatin. The cytotoxicities of the platinum(IV) and zinc(II) complexes toward mouse tumor cell lines were higher compared with their effects on human tumor cell lines. The zinc(II) complex C9 showed the highest antitumor activity toward the tested human cell lines, while the platinum(IV) complex C4 exhibited the highest antitumor activity toward mouse BCL1 and 4T1 cells. Both C4 and C9 have ligands derived from S-propyl thiosalicylic acid.

PIPERAZINYL METHANONE NAAA INHIBITORS

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Paragraph 0214; 0303, (2017/12/16)

Disclosed herein, inter alia, are compositions and methods for modulating the activity of N-acylethanolamine acid amidase for the treatment of a pathological state, including pain, an inflammatory condition, or a neurodegenerative disorder.

New piperazine derivatives having anti-cancer effect, combination therapeutic effect with radiation, and anti-diabetic effect, and PPAR activity, and medical use thereof

-

Paragraph 0068; 0069; 0075; 0076, (2018/10/03)

The present invention relates to a novel piperazine derivative having an anti-cancer effect, a combination therapeutic effect with radiation, and an anti-diabetic effect, and to a medical use thereof. The piperazine derivatives are PPAR-γ ligand, and have

Second-Generation Non-Covalent NAAA Inhibitors are Protective in a Model of Multiple Sclerosis

Migliore, Marco,Pontis, Silvia,Fuentes de Arriba, Angel Luis,Realini, Natalia,Torrente, Esther,Armirotti, Andrea,Romeo, Elisa,Di Martino, Simona,Russo, Debora,Pizzirani, Daniela,Summa, Maria,Lanfranco, Massimiliano,Ottonello, Giuliana,Busquet, Perrine,Jung, Kwang -Mook,Garcia-Guzman, Miguel,Heim, Roger,Scarpelli, Rita,Piomelli, Daniele

supporting information, p. 11193 - 11197 (2016/10/13)

Palmitoylethanolamide (PEA) and oleoylethanolamide (OEA) are endogenous lipid mediators that suppress inflammation. Their actions are terminated by the intracellular cysteine amidase, N-acylethanolamine acid amidase (NAAA). Even though NAAA may offer a new target for anti-inflammatory therapy, the lipid-like structures and reactive warheads of current NAAA inhibitors limit the use of these agents as oral drugs. A series of novel benzothiazole–piperazine derivatives that inhibit NAAA in a potent and selective manner by a non-covalent mechanism are described. A prototype member of this class (8) displays high oral bioavailability, access to the central nervous system (CNS), and strong activity in a mouse model of multiple sclerosis (MS). This compound exemplifies a second generation of non-covalent NAAA inhibitors that may be useful in the treatment of MS and other chronic CNS disorders.

Cytotoxicity of copper(II)-complexes with some S-alkyl derivatives of thiosalicylic acid. Crystal structure of the binuclear copper(II)-complex with S-ethyl derivative of thiosalicylic acid

Nikoli?, Milo? V.,Mijajlovi?, Marina ?.,Jevti?, Verica V.,Ratkovi?, Zoran R.,Novakovi?, Sladjana B.,Bogdanovi?, Goran A.,Milovanovi?, Jelena,Arsenijevi?, Aleksandar,Stojanovi?, Bojana,Trifunovi?, Sre?ko R.,Radi?, Gordana P.

, p. 264 - 271 (2016/04/04)

The spectroscopically predicted structure of the obtained copper(II)-complex with S-ethyl derivative of thiosalicylic acid was confirmed by X-ray structural study and compared to previously reported crystal structure of the Cu complex with S-methyl deriva

Cytotoxicity of palladium(II) complexes with some alkyl derivates of thiosalicylic acid. Crystal structure of the bis(S-butyl-thiosalicylate)palladium(II) complex, [Pd(S-bu-thiosal)2]

Mijajlovi?, Marina ?.,Nikoli?, Milo? V.,Jevti?, Verica V.,Ratkovi?, Zoran R.,Markovi?, Bojana Simovi?,Volarevi?, Vladislav,Arsenijevi?, Neboj?a N.,Novakovi?, Sladjana B.,Bogdanovi?, Goran A.,Trifunovi?, Sre?ko R.,Radi?, Gordana P.

, p. 34 - 40 (2015/03/04)

The spectroscopically predicted structure of the obtained bis(S-butyl-thiosalicylate)palladium(II) complex, [Pd(S-bu-thiosal)2], was confirmed by an X-ray structural study. The asymmetric unit of [Pd(S-bu-thiosal)2] consists of neutr

Synthesis, characterization and antimicrobial activity of copper(II) complexes with some S-alkyl derivatives of thiosalicylic acid. Crystal structure of the binuclear copper(II) complex with S-methyl derivative of thiosalicylic acid

Nikoli?, Milo? V.,Mijajlovi?, Marina ?.,Jevti?, Verica V.,Ratkovi?, Zoran R.,Radojevi?, Ivana D.,?omi?, Ljiljana R.,Novakovi?, Sladjana B.,Bogdanovi?, Goran A.,Trifunovi?, Sre?ko R.,Radi?, Gordana P.

, p. 80 - 87 (2014/06/10)

The five new copper(II) complexes with some S-alkyl derivatives of thiosalicylic acid (alkyl = benzyl (L1), methyl (L2), ethyl (L3), propyl (L4), butyl (L5)) have been synthesized and characterized by microanalysis and infrared spectra. The spectroscopica

Synthesis, characterization and antimicrobial activity of palladium(II) complexes with some alkyl derivates of thiosalicylic acids: Crystal structure of the bis(S-benzyl-thiosalicylate)-palladium(II) complex, [Pd(S-bz-thiosal) 2]

Radic, Gordana P.,Gloovic, Verica V.,Radojevic, Ivana D.,Stefanovic, Olgica D.,Comic, Ljiljana R.,Ratkovic, Zoran R.,Valkonen, Arto,Rissanen, Kari,Trifunovic, Srecko R.

experimental part, p. 69 - 76 (2012/03/13)

S-Alkyl (R = benzyl, methyl, ethyl, propyl and butyl) derivatives of thiosalicylic acid and the corresponding palladium(II) complexes were prepared and their structures were proposed on the basis of infrared, 1H and 13C NMR spectrosc

Synthesis, spectral characterization and electrochemical properties of (2-alkylthiobenzoyl)ferrocenes. Crystal structures of 2-methylthio, 2-ethylthio and 2-isopropylthio derivatives

Ratkovi?, Zoran,Novakovi?, Sladana B.,Bogdanovi?, Goran A.,?egan, Dejan,Vuki?evi?, Rastko D.

scheme or table, p. 2311 - 2317 (2010/09/06)

The one-pot synthesis of seven new (2-alkylthiobenzoyl)ferrocenes has been achieved by Friedel-Crafts acylation of ferrocene with acid chlorides generated in situ from the corresponding carboxylic acids and phosphorous trichloride. The obtained compounds

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