28115-85-7

Usage

Uses

Used in Pharmaceutical Synthesis:
2-Methylbenzoyl isothiocyanate is used as a key intermediate in the synthesis of various pharmaceuticals and organic compounds, leveraging its reactive isothiocyanate group to form a wide range of chemical products.
Used in Pest Control:
In the pest control industry, 2-Methylbenzoyl isothiocyanate is utilized as an insecticide for its ability to effectively control and eliminate pests, thanks to its insecticidal properties.
Used in Antimicrobial Applications:
2-Methylbenzoyl isothiocyanate is employed as a bactericide in various antimicrobial applications, where its bactericidal properties help in controlling and preventing the growth of bacteria.
Used in Cancer Treatment Research:
In the field of oncology, 2-Methylbenzoyl isothiocyanate is used as a subject of research for its potential in cancer treatment. Its cytotoxic effects on cancer cells have shown promise in the development of new therapeutic agents, although further studies are required to ensure safety and efficacy.

InChI:InChI=1/C9H7NOS/c1-7-4-2-3-5-8(7)9(11)10-6-12/h2-5H,1H3

Upstream product

• 118-90-1 ortho-methylbenzoic acid 
• 1858-25-9 phosphoryl-isothiocyanate 
• 333-20-0 potassium thioacyanate 
• 933-88-0 ortho-toluoyl chloride 
• 540-72-7 sodium thiocyanide 

Downstream Products

• 93326-10-4 N-(4-benzoyl-[1,2,3]thiadiazol-5-yl)-2-methyl-benzamide 
• 93870-11-2 N-[4-(4-methoxy-benzoyl)-[1,2,3]thiadiazol-5-yl]-2-methyl-benzamide 
• 94574-34-2 2-methyl-N-[4-(3-nitro-benzoyl)-[1,2,3]thiadiazol-5-yl]-benzamide 
• 93260-80-1 N-[4-(4-chloro-benzoyl)-[1,2,3]thiadiazol-5-yl]-2-methyl-benzamide 
• 138712-71-7 2-Methyl-N-(3-methyl-ureidocarbothioyl)-benzamide 
• 914480-82-3 C₁₉H₂₀N₆O₃S₂ 
• 333740-98-0 C₁₅H₁₃ClN₂OS 
• 333741-00-7 C₁₅H₁₃ClN₂OS 
• 333740-79-7 C₁₆H₁₆N₂OS 
• 333740-80-0 1-(2-methylbenzoyl)-3-(3-methylphenyl)thiourea 
• 333740-96-8 C₁₆H₁₆N₂O₂S 
• 124927-31-7 4-o-Tolyl-1H-benzo[4,5]imidazo[1,2-a][1,3,5]triazin-2-one 
• 124927-39-5 N-Benzo[4,5]imidazo[1,2-b][1,2,4]thiadiazol-2-yl-2-methyl-benzamide 
• 138712-78-4 2-Methyl-N-(2-methyl-3-oxo-2,3-dihydro-[1,2,4]thiadiazol-5-yl)-benzamide 

Relevant academic research and scientific papers

Synthesis, characterization, antimicrobial, antioxidant and computational evaluation of N-acyl-morpholine-4-carbothioamides

Abstract: The present research paper reports the convenient synthesis, successful characterization, in vitro antibacterial, antifungal, antioxidant potency and biocompatibility of N-acyl-morpholine-4-carbothioamides (5a–5j). The biocompatible derivatives were found to be highly active against the tested bacterial and fungal strains. Moreover, some of the screened N-acyl-morpholine-4-carbothioamides exhibited excellent antioxidant potential. Docking simulation provided additional information about possibilities of their inhibitory potential against RNA. It has been predicted by in silico investigation of the binding pattern that compounds 5a and 5j can serve as the potential surrogate for design of novel and potent antibacterial agents. The results for the in vitro bioassays were promising with the identification of compounds 5a and 5j as the lead and selective candidate for RNA inhibition. Results of the docking computations further ascertained the inhibitory potential of compound 5a. Based on the in silico studies, it can be suggested that compounds 5a and 5j can serve as a structural model for the design of antibacterial agents with better inhibitory potential. Graphic abstract: Binding mode of compound 5j inside the active site of RNA in 3D space. 5j displayed highest antibacterial potential than the reference drug ampicillin with ZOI 10.50?mm against Staphylococcus aureus. 5j also displayed highest antifungal potential than the reference drug amphotericin B with ZOI 18.20?mm against Fusarium solani.[Figure not available: see fulltext.].

Synthesis and Investigation of the Antibacterial Activity of New Tris-Thiourea Derivatives

An efficient procedure for the preparation of symmetrical tris-thiourea derivatives (5a – 5h) by means of one-pot condensation reaction between available benzoyl chlorides (1a –1h) with potassium thiocyanate (2) and melamine (4) under reflux conditions is

Synthesis, crystal structure, spectral and electrochemical characterization, DNA binding and free radical scavenging studies of ferrocene-based thioureas

Thioureas are important building blocks in medicinal chemistry; ferrocenes as highly hydrophobic moieties induce very interesting qualities in medicinal compounds. In this article, we have synthesized four ferrocene incorporated N,N′-disubstituted benzoyl

Synthesis, spectroscopic investigation, and DFT study of: N, N ′-disubstituted ferrocene-based thiourea complexes as potent anticancer agents

In the present work, the synthesis, characterization (FT-IR, multinuclear (1H and 13C) NMR, AAS, Raman, and elemental analyses), DNA binding (cyclic voltammetry, UV-Vis spectroscopy), and in vitro biological screening of nine new fer

Synthesis, structural characterization and quantum chemical calculations on 1-(isomeric methylbenzoyl)-3-(4-trifluoromethylphenyl)thioureas

The 1-(isomeric methylbenzoyl)-3-(4-trifluoromethylphenyl)thioureas (1–3) have been synthesized using the reaction of 2-methylbenzoyl isothiocyanate, 3-methylbenzoyl isothiocyanate and 4-methylbenzoyl isothiocyanate with 4-aminotrifluorotoluene in dry tet

Synthesis and antitumor activity of novel N-benzoyl-N'-substituted pyrimidinyl (thio)semicarbazide derivatives

A series of substituted pyrimidinyl (thio)semicarbazide derivatives were designed and synthesized. The antitumor results showed that the activity of thiosemicarbazide compounds (series II) was generally higher than that of the corresponding semicarbazide derivatives (series I). Among them, IIk displayed higher cytotoxicity against HL-60, BGC-823 and Bel-7402 than that of adriamycin and exhibited broad in vitro cytotoxicity against 13 human tumor cell lines. Meanwhile, the cytotoxic selectivity and anti-multidrug resistance were evaluated, and IIk exhibited selective cytotoxicity against cancer cells in comparison to human normal cells and had significant anti-multidrug resistance capability. The bioassay results showed that IIk showed great promise as a potent lead compound for further antitumor discovery.

One-pot synthesis and crystal structure of N-acyl-N′-[1-(2,6- dichloro-4-trifluoromethyl)phenyl-3-cyano-1H-pyrazol-5-yl]thioureas

Nine novel thiourea derivatives containing pyrazole rings have been prepared in good yields by the reaction of 5-amino-3-cyano-1-(2,6-dichloro-4- trifluoromethylphenyl)pyrazole with acylisothiocyanates, which were generated in situ by potassium thiocyanate and different acyl chlorides in one pot. N-Benzoyl-N′-[1-(2,6-dichloro-4-trifluoromethyl)phenyl-3-cyano-1H-pyrazol- 5-yl]thiourea was characterised by a single crystal X-ray diffraction study.

Synthesis and crystal structure of a compound with two conformational isomers: N-(2-methylbenzoyl)-N′-(4-nitrophenyl)thiourea

The single crystal of the title compound (C15H 13N3O3S) with two conformational isomers was obtained from the solution of the title compound dissolved in the N,N-dimethylformamide (DMF) by slow evaporation at ro

Synthesis and crystal structure of some novel 2-aroylimino-3-aryl-4-phenyl- 1,3-thiazolines

An efficient synthesis of some novel 2-aroylimino-3-aryl-4-phenyl-1,3- thiazolines was carried out by base-catalyzed cyclization of 1-aroyl-3-arylthioureas with acetophenone in the presence of bromine. The structures were confirmed by spectroscopic data,

Synthesis and bioactivity of some new 1-tolyl-3-aryl-4-methylimidazole-2- thiones

Three series of new 1-(isomeric methyl)benzoyl-3-arylthioureas (1-3a-i) were prepared from 2-, 3-, and 4-methylbenzoyl chlorides via isothiocyanate formation followed by treatment with various substituted anilines. The base-catalyzed condensation of thiou