Mercaptoacetonitrile

Base Information

• Chemical Name: Mercaptoacetonitrile
• CAS No.: 54524-31-1
• Molecular Formula: C₂H₃NS
• Molecular Weight: 73.1185
• DSSTox Substance ID: DTXSID80402189
• Nikkaji Number: J1.443.918H
• Wikidata: Q82205566

Synonyms:MERCAPTOACETONITRILE;54524-31-1;2-sulfanylacetonitrile;2-mercaptoacetonitrile;DTXSID80402189;SUBFDLZTGLXJHJ-UHFFFAOYSA-N;EN300-1600480

Chemical Property of Mercaptoacetonitrile

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 72.99862027
• Heavy Atom Count: 4
• Complexity: 41.2

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C#N)S

Technology Process of Mercaptoacetonitrile

There total 1 articles about Mercaptoacetonitrile 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:

Reference yield: 95.0%

thioacetic acid S-cyanomethyl ester (59463-56-8) → 2-mercaptoacetonitrile (54524-31-1)

Guidance literature:

With Amberlyst 15; In methanol; for 20h; Heating;

DOI:10.1016/S0040-4020(01)80958-3

Reference yield: 98.3%

2-mercaptoacetonitrile (54524-31-1) + (R)-4-(5-bromo-2-fluoro-phenyl)-3-(2,4-dimethoxy-benzyl)-4-methyl-[1,2,3]oxathiazolidine 2,2-dioxide → (R)-2-(2-(5-bromo-2-fluorophenyl)-2-(2,4-dimethoxybenzylamino)propylthio)acetonitrile

Guidance literature:

With N,N,N',N'-tetramethylguanidine; In N,N-dimethyl-formamide; at 23 ℃; for 16h;

Reference yield: 97.0%

2-mercaptoacetonitrile (54524-31-1) + (3aS,7S,7aS)-rac-6-(2,4-dimethoxybenzyl)-7-(2-fluorophenyl)-7-methylhexahydro-2,4-dioxa-5-thia-6-azaindene 5,5-dioxide → {rac-(3R,4S)-4-[(S)-1-(2,4-dimethoxybenzylamino)-1-(2-fluorophenyl)ethyl]tetrahydrofuran-3-ylsulfanyl}acetonitrile

Guidance literature:

2-mercaptoacetonitrile; (3aS,7S,7aS)-rac-6-(2,4-dimethoxybenzyl)-7-(2-fluorophenyl)-7-methylhexahydro-2,4-dioxa-5-thia-6-azaindene 5,5-dioxide; With N,N,N',N'-tetramethylguanidine; In N,N-dimethyl-formamide; at 20 - 60 ℃; for 12h;

With sulfuric acid; In dichloromethane;

With sodium hydrogencarbonate; In dichloromethane;

upstream raw materials:

thioacetic acid S-cyanomethyl ester

Downstream raw materials:

thioformaldehyde

m-chlorothiobenzoic acid, S-cyanomethyl ester

4-Methyl-thiobenzoic acid S-cyanomethyl ester

p-nitrothiobenzoic acid, S-cyanomethyl ester

Refernces

Convenient synthesis of substituted 3-aminothiophene-2-carbonitriles from α-acetylenic nitriles and their conversion to thieno[3,2-d]pyrimidines

10.1002/jhet.5570230631

The research focuses on the synthesis of novel 2,4,6-trisubstituted thieno[3,2-d]pyrimidines, which are of interest due to their potential biochemical significance and isosteric relationship with purines. The study explores the conversion of previously unknown 3-amino-5-methyl(or 5-phenyl)thiophene-2-carbonitriles into thieno[3,2-d]pyrimidines through a series of chemical reactions. Key chemicals used in the process include mercaptoacetonitrile, substituted acetylenic nitriles, various amines, orthoesters, and sodium ethoxide, among others. The conclusions drawn from the research highlight the successful synthesis of several trisubstituted thienopyrimidines and their potential as growth inhibitors against murine leukemic cell lines, with the 2,4-diamino derivative 30 showing the most activity. The study also compares different synthetic approaches and provides insights into the biological evaluation of these compounds.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 54524-31-1 MERCAPTOACETONITRILE

Send

Send

Metric Ton KG G Pound L ML

Send

Send