73962-31-9

Basic information

• Product Name: 2-(prop-2-yn-1-yloxy)benzaldehyde thiosemicarbazone
• CAS NO: 73962-31-9
• Molecular Formula: C₁₁H₁₁N₃OS
• Molecular Weight: 233.2895
• Mol File: 73962-31-9.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 409.2°C at 760 mmHg
• Flash Point: 201.2°C
• Density: 1.15g/cm³
• Vapor Pressure: 6.63E-07mmHg at 25°C
• Refractive Index: 1.581
• CAS DataBase Reference: 2-(prop-2-yn-1-yloxy)benzaldehyde thiosemicarbazone(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(prop-2-yn-1-yloxy)benzaldehyde thiosemicarbazone(73962-31-9)
• EPA Substance Registry System: 2-(prop-2-yn-1-yloxy)benzaldehyde thiosemicarbazone(73962-31-9)

Safety Data

• Hazardous Substances Data: 73962-31-9(Hazardous Substances Data)

Upstream product

• 29978-83-4 o-propargyloxybenzaldehyde 
• 79-19-6 thiosemicarbazide 
• 90-02-8 salicylaldehyde 
• 4346-94-5 thiosemicarbazide hydrochloride 

Relevant articles and documents

Designing of thiosemicarbazone-triazole linked organotriethoxysilane as UV-Visible and fluorescence sensor for the selective detection of Hg2+ ions and their cytotoxic evaluation

In this manuscript, a new series of thiosemicarbazone-triazole linked organotriethoxysilanes (6a-6 g) have been synthesized using Cu (I) catalyzed click reaction and characterized by spectroscopic techniques including IR, 1H and 13C NMR, TGA and ESI-QTOF mass spectrometry. The compound 6a was screened for its photophysical properties using UV-Visible and fluorescence spectroscopy which showed the selective detection of Hg2+ ion without any significant interference from different metal cations. The chemosensor 6a binds in 1:1 stoichiometry with Hg2+ confirmed by Job's-plot and with high binding affinity as determined from association constant values 0.3747 × 106 M?1 and 0.3134 × 107 M?1 obtained from BH-plot and Stern-Volmer plot respectively. The LOD values for Hg2+ obtained from absorption and emission spectroscopy were 0.3122 × 10?6 M and 0.3928 × 10?7 M respectively. The binding interactions between 6a and Hg2+ion were also examined by conducting DFT calculations on Gaussian 03 software. Furthermore, all the synthesized organosilanes were tested for their use in the biological field by evaluating their pharmacokinetic profile and cytotoxicity using PreADMET, molinspiration software and PLHC-1 cell line. The chemosensor 6a with lowest cytotoxicity could be applied to monitor Hg2+ ions in living cells.

Design, synthesis, biological activity, molecular docking and computational studies on novel 1,4-disubstituted-1,2,3-Triazole-Thiosemicarbazone hybrid molecules

A library of some novel 1,4-disubstituted-1,2,3-triazole-thiosemicarbazone hybrid molecules were designed and synthesized from (4-Prop-2-ynyloxy-benzylidene)-thiosemicarbazone and aryl azides under Cu(I)-catalyzed cycloaddition reaction. All newly synthesized [4-(1-Benzyl-1H-[1,2,3]triazol-4-ylmethoxy)-benzylidene] -thiosemicarbazone hybrid molecules were efficiently characterized by IR, 1H NMR, 13C NMR, HRMS and structure of alkynes 3 & 12 were finally supported by X-ray crystallographic data. Compounds 5c, 5d, 9c, 9d 13c and 13d demonstrated excellent potency results for B. Subtilis and P. Aeruginosa bacterial strains with MIC values 0.0141, 0.0152, 0.0562, 0.0608, 0.0141, 0.0608, 0.0141, 0.0304, 0.0281, 0.0304, 0.0281, 0.0304, respectively as compared to reference drug Ciprofloxacin. Antibacterial activity results were supported by molecular docking and DFT studies.