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2-Cyanothioacetamide

Base Information Edit
  • Chemical Name:2-Cyanothioacetamide
  • CAS No.:7357-70-2
  • Molecular Formula:C3H4N2S
  • Molecular Weight:100.144
  • Hs Code.:29309090
  • NSC Number:53405
  • DSSTox Substance ID:DTXSID80223770
  • Nikkaji Number:J258.989C
  • Mol file:7357-70-2.mol
2-Cyanothioacetamide

Synonyms:2-Cyanothioacetamide;7357-70-2;2-Cyanoethanethioamide;Cyanothioacetamide;Ethanethioamide, 2-cyano-;(Cyano)thioacetamide;2-cyano-thioacetamide;MFCD00010025;cyanthioacetamide;cyanoacetothioamide;2-Cyanothioactamide;NSC53405;alpha-cyanothioacetamide;2-cyano-ethanethioamide;2-Cyanothioacetamide, 97%;SCHEMBL191971;SCHEMBL18293158;DTXSID80223770;BCP32414;STR02955;NSC 53405;NSC-53405;STK894094;AKOS000121014;AT19945;BB 0262965;CS-0015277;FT-0624141;EN300-17839;J-501799;Z57046941;F3308-0295

Suppliers and Price of 2-Cyanothioacetamide
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • 2-Cyanothioacetamide
  • 10 g
  • $ 85.00
  • SynQuest Laboratories
  • 2-Cyanothioacetamide
  • 100 g
  • $ 536.00
  • SynQuest Laboratories
  • 2-Cyanothioacetamide
  • 5 g
  • $ 48.00
  • SynQuest Laboratories
  • 2-Cyanothioacetamide
  • 25 g
  • $ 184.00
  • Sigma-Aldrich
  • 2-Cyanothioacetamide 97%
  • 25g
  • $ 161.00
  • Sigma-Aldrich
  • 2-Cyanothioacetamide 97%
  • 5g
  • $ 51.00
  • Oakwood
  • 2-Cyanothioacetamide 97%
  • 1g
  • $ 15.00
  • Matrix Scientific
  • 2-Cyanothioacetamide >95%
  • 5g
  • $ 33.00
  • Biosynth Carbosynth
  • 2-Cyanothioacetamide
  • 10 g
  • $ 200.00
  • Biosynth Carbosynth
  • 2-Cyanothioacetamide
  • 50 g
  • $ 500.00
Total 61 raw suppliers
Chemical Property of 2-Cyanothioacetamide Edit
Chemical Property:
  • Appearance/Colour:beige to brown needles or powder 
  • Vapor Pressure:0.00998mmHg at 25°C 
  • Melting Point:118-120 °C(lit.) 
  • Refractive Index:1.58 
  • Boiling Point:264 °C at 760 mmHg 
  • PKA:12.18±0.29(Predicted) 
  • Flash Point:113.4 °C 
  • PSA:81.90000 
  • Density:1.25 g/cm3 
  • LogP:0.88648 
  • Storage Temp.:Keep in dark place,Inert atmosphere,Room temperature 
  • Sensitive.:Light Sensitive 
  • Water Solubility.:Does not mix well with water. 
  • XLogP3:-0.4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:1
  • Exact Mass:100.00951931
  • Heavy Atom Count:6
  • Complexity:98.6
Purity/Quality:

97% *data from raw suppliers

2-Cyanothioacetamide *data from reagent suppliers

Safty Information:
  • Pictogram(s): HarmfulXn 
  • Hazard Codes:Xn 
  • Statements: 20/21/22-36/37/38 
  • Safety Statements: 26-37/39-36/37/39-36 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C(C#N)C(=S)N
  • General Description 2-Cyanothioacetamide is a versatile reagent used in multicomponent syntheses to produce N,S-containing heterocycles, such as pyrimido[4,3-b][1,3,5]thiadiazines, 4,6-diaryl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitriles, and morpholinium 1,4-dihydropyridine-2-thiolates. It participates in condensation reactions with aromatic aldehydes, amines, and other carbonyl compounds, yielding biologically relevant structures with potential applications in medicinal chemistry, including antihypertensive, antidiabetic, antioxidant, and cardiovascular agents. The compound's reactivity is confirmed through spectral analyses (IR, NMR, mass spectrometry) and elemental analysis, highlighting its utility in efficient and environmentally friendly synthetic routes.
Technology Process of 2-Cyanothioacetamide

There total 7 articles about 2-Cyanothioacetamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
With hydrogen sulfide; In ethanol; at 15 - 20 ℃;
DOI:10.1007/s10593-012-0991-5
Guidance literature:
With 2,4-bis<4-(methylthio)phenyl>-1,3,2,4-dithiadiphosphetane 2,4-disulfide; In tetrahydrofuran; at 20 ℃; for 1h;
DOI:10.1055/s-1984-30980
Refernces Edit

The Mannich reaction in the synthesis of N, S-containing heterocycles Recyclization of stable cyclic Michael adducts, N-methylmorpholinium 6-R-6-hydroxy-1, 4, 5, 6-tetrahydropyridine-2-thiolates, to pyrimido[4, 3-b][1, 3, 5]thiadiazines under conditions of aminomethylation reaction

10.1007/s11172-009-0199-8

The research focuses on the Mannich reaction in the synthesis of N,S-containing heterocycles, specifically the recyclization of stable cyclic Michael adducts, N-methylmorpholinium 6-R-6-hydroxy-1,4,5,6-tetrahydropyridine-2-thiolates, to pyrimido[4,3-b][1,3,5]thiadiazines under aminomethylation reaction conditions. The experiments involve the reaction of 5-substituted N-methylmorpholinium 4-aryl-6-R-3-cyano-6-hydroxy-1,4,5,6-tetrahydro-pyridine-2-thiolates with primary amines and formaldehyde (HCHO) in ethanol, leading to the formation of 3,7-disubstituted 8-aryl-3,4,7,8-tetrahydro-2H,6H-pyrimido[4,3-b][1,3,5]thiadiazine-9-carbonitriles in low yields (5—28%). The reactants include cyanothioacetamide, aromatic aldehydes, primary amines, and HCHO. The analyses used to characterize the products include infrared (IR) spectroscopy, proton nuclear magnetic resonance (1H NMR) spectroscopy, and elemental analysis, which confirmed the structures of the synthesized pyrimido[4,3-b][1,3,5]thiadiazines.

A New Version of Multicomponent Synthesis of 4,6-Diaryl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile Derivatives

10.1134/S1070428018090014

The research focuses on the development of a new multicomponent synthesis method for the production of 4,6-diaryl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile derivatives, which are important heterocyclic compounds with potential applications in the synthesis of antihypertensive and antidiabetic agents. The study involves the condensation of aromatic aldehydes, acetophenones, cyanothioacetamide, and alkylating agents to yield a variety of pyridine and thienopyridine derivatives. The synthesized compounds were confirmed through X-ray analysis, spectral data, and other analytical techniques. The study concludes that this method is advantageous due to the accessibility of initial reactants, simplicity of experimental procedures, high yields, and alignment with environmental safety demands.

New synthetic method for functionally substituted morpholinium 1,4-dihydropyridine-2-thiolates and their derivatives

10.1134/S1070428007020194

The research focuses on the development of a new synthetic method for functionally substituted morpholinium 1,4-dihydropyridine-2-thiolates and their derivatives. The experiments involve the condensation of aromatic aldehydes with cyanothioacetamide and enamines of 1,3-dicarbonyl compounds to obtain these compounds, which have potential applications in the synthesis of biologically active compounds with antioxidant, hepatoprotector, and cardiovascular qualities. The reactants used in the synthesis include various aromatic aldehydes, cyanothioacetamide, and enamines of 1,3-dicarbonyl compounds. The structures of the synthesized compounds were confirmed through spectral analyses, including IR and 1H NMR spectroscopy, which provided characteristic absorption bands for the stretching vibrations of conjugated cyano and carbonyl groups, as well as proton signals from the 1,4-dihydropyridine ring. Additionally, mass spectrometry and elemental analysis were employed to further validate the structures and compositions of the synthesized compounds.

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