28115-86-8

Usage

Uses

Used in Health and Pharmaceutical Industry:
3-METHYLBENZYL ISOTHIOCYANATE is used as a potential anti-cancer agent for its ability to induce apoptosis in cancer cells and its potential to modulate various oncological signaling pathways. It is also used as an anti-inflammatory agent due to its ability to reduce inflammation.
Used in Food Preservation:
3-METHYLBENZYL ISOTHIOCYANATE is used as a natural alternative to synthetic preservatives for its strong antimicrobial activity, which helps in preserving food and preventing spoilage.
Used in Agriculture:
3-METHYLBENZYL ISOTHIOCYANATE is used as a potential crop protectant for its ability to protect crops against pests and pathogens, thereby enhancing crop yield and quality.

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

Upstream product

• 540-72-7 sodium thiocyanide 
• 1711-06-4 3-Methylbenzoyl chloride 
• 333-20-0 potassium thioacyanate 
• 1147550-11-5 ammonium thiocyanate 
• 74119-86-1 1,1,2,2,3,3-Hexaethylguanidiniumthiocyanat 
• 1858-25-9 phosphoryl-isothiocyanate 
• 99-04-7 m-Toluic acid 

Downstream Products

• 94960-18-6 N-[4-(4-methoxy-benzoyl)-[1,2,3]thiadiazol-5-yl]-3-methyl-benzamide 
• 22876-15-9 5-methylbenzo[d]oxazol-2(3H)-one 
• 38334-93-9 N-m-Methylbenzoyl-thioharnstoff 
• 128406-96-2 6-Methyl-4-m-tolyl-9-oxa-1,3,4a-triaza-fluorene-2-thione 
• 59-49-4 2-Benzoxazolinone 
• 128406-92-8 4-m-Tolyl-9-oxa-1,3,4a-triaza-fluorene-2-thione 
• 128530-39-2 1-(5-Chloro-thiazolo[5,4-b]pyridin-2-yl)-3-(3-methyl-benzoyl)-thiourea 
• 128530-34-7 N-m-toluyl-N'-(6-methoxythiazolo<5,4-b>pyridin-2-yl)thiourea 
• 56437-99-1 N-<3-Methyl-benzoyl->-N'-phenyl-thioharnstoff 
• 572872-29-8 1-[(4-methylphenyloxy)acetyl]-4-(3-methylbenzoyl)thiosemicarbazide 
• 572872-27-6 1-[(2-methylphenyloxy)acetyl]-4-(3-methylbenzoyl)thiosemicarbazide 
• 572872-33-4 1-[(4-nitrophenyloxy)acetyl]-4-(3-methylbenzoyl)thiosemicarbazide 
• 572872-32-3 1-[(2-nitrophenyloxy)acetyl]-4-(3-methylbenzoyl)thiosemicarbazide 
• 572872-31-2 1-[(2-chlorophenyloxy)acetyl]-4-(3-methylbenzoyl)thiosemicarbazide 

Relevant academic research and scientific papers

Synthesis of Novel Tris-1,2,4-triazole Derivatives and Their Antibacterial Activity

Abstract: A series of novel 3,3′,3″-[1,3,5-triazine-2,4,6-triyltris(azanediyl)]tris(5-aryl-1H-1,2,4-triazole-1-carbothioamide) derivatives were designed and synthesized through reaction of new tris-thiourea derivatives with thiosemicarbazide and sodium hy

Design, Synthesis, and Insecticidal Activity of Novel Doramectin Derivatives Containing Acylurea and Acylthiourea Based on Hydrogen Bonding

Our recent investigation on the insecticidal activities of several doramectin derivatives preliminarily revealed that the presence of hydrogen bonds at the C4″ position of the molecule with target protein γ-aminobutyric acid (GABA) receptor was crucial for retaining high insecticidal activity. As a continuation of our research work on the development of new insecticides, two series of novel acylurea and acylthiourea doramectin derivatives were designed and synthesized. The bioassay results indicated that the newly synthesized compounds (5o, 5t, and 6t) exhibited higher insecticidal activity against diamondback moth, oriental armyworm, and corn borer than the control compounds doramectin, commercial avermectins, chlorbenzuron, and lead compound 3g in our laboratory. Specifically, compound 5t was identified as the most promising insecticide against diamondback moth, with a final mortality rate of 80.00% at the low concentration of 12.50 mg/L, showing approximately 7.75-fold higher potency than the parent doramectin (LC50 value of 48.1547 mg/L), 6.52-fold higher potency than commercial avermectins (LC50 value of 40.5507 mg/L), and 3.98-fold higher potency than compound 3g (LC50 value of 24.7742 mg/L). Additionally, molecular docking simulations revealed that compound 5t (2.17, 2.20, 2.56, and 2.83 ?) displayed stronger hydrogen-bond action in binding with the GABA receptor, better than that of compound 5o (1.64 and 2.15 ?) and compound 6t (2.20 and 2.31 ?) at the C4″ position. This work demonstrated that these compounds containing hydrogen-bond groups might contribute to the improvement of insecticidal activity and supply certain hints toward structure optimization design for the development of new insecticides.

4-aminocoumarin based aroylthioureas as potential jack bean urease inhibitors; synthesis, enzyme inhibitory kinetics and docking studies

Background: Urease enzyme catalyzes the hydrolysis of urea into ammonia and CO2, excess ammonia causes global warming and crop reduction. Ureases are also responsible for certain human diseases such as stomach cancer, peptic ulceration, pyelone

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

Identification of acylthiourea derivatives as potent Plk1 PBD inhibitors

Thiourea derivatives have drawn much attention for their latent capacities of biological activities. In this study, we designed acylthiourea compounds as polo-like kinase 1 (Plk1) polo-box domain (PBD) inhibitors. A series of acylthiourea derivatives without pan assay interference structure (PAINS) were synthesized. Four compounds with halogen substituents exhibited binding affinities to Plk1 PBD in low micromole range. The most potent compound (3v) showed selectivity over other subtypes of Plk PBDs and inhibited the kinase activity of full-length Plk1.

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.

A facile one-pot synthesis and heterocyclisation of (R)-2-amino-3- ((aroylcarbamothioyl)thio)propanoic acids

A series of (R)-2-amino-3-((aroylcarbamothioyl)thio)propanoic acid derivatives have been synthesised by a one-pot, threecomponent reaction of L-cysteine with ammonium thiocyanate in the presence of various acid chlorides under solvent-free conditions in excellent yields. These compounds were converted to (R)-2-thioxothiazolidine-4-carboxylic acid in water under reflux conditions.