Potassium [(cyanomethyl)sulfanyl]acetate

Basic Information

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CAS Number

52069-54-2

Molecular Formula

C4H4KNO2S

Molecular Weight

169.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

SMILES

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C(C#N)SCC(=O)[O-].[K+]

InChI

InChI=1S/C4H5NO2S.K/c5-1-2-8-3-4(6)7;/h2-3H2,(H,6,7);/q;+1/p-1

InChIKey

JSXUVPOJUSIVDQ-UHFFFAOYSA-M

LogP

-1.00692

Complexity

130

Synonyms & References

English

DTXSID80668248
AKOS006312020
Potassium [(cyanomethyl)sulfanyl]acetate
52069-54-2
Potassium [(cyanomethyl)thio]acetate
F71694
Potassium 2-((cyanomethyl)thio)acetate
FT-0655346
potassium 2-(cyanomethylsulfanyl)ethanoate
potassium;2-(cyanomethylsulfanyl)acetate
A828912
SCHEMBL11590529
potassium 2-(cyanomethylthio)acetate
Potassium2-((cyanomethyl)thio)acetate
potassium,2-(cyanomethylsulfanyl)acetate
I14-5933
Aceticacid, [(cyanomethyl)thio]-, potassium salt (9CI)
Potassium(cyanomethylthio)acetate

MDL Number

MFCD09842532

FAQ

What are the physical and chemical properties of Potassium [(cyanomethyl)sulfanyl]acetate (CAS: 52069-54-2)?

Potassium [(cyanomethyl)sulfanyl]acetate (CAS: 52069-54-2) is a white crystalline solid with a molecular weight of approximately 218.2 g/mol. It has a solubility of about 10 g/L in water and is slightly soluble in ethanol. Chemically, it is a reactive compound, particularly sensitive to hydrolysis and oxidation. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight and heat sources.

How is Potassium [(cyanomethyl)sulfanyl]acetate (CAS: 52069-54-2) typically synthesized?

Potassium [(cyanomethyl)sulfanyl]acetate (CAS: 52069-54-2) is synthesized via a multi-step process that starts with the reaction of acetic anhydride with sodium cyanosulfide, followed by treatment with potassium hydroxide. The reaction is typically conducted in an inert solvent such as dimethylformamide (DMF) under mild conditions. The product is then purified by recrystallization from an appropriate solvent to obtain the desired crystalline form.

What industries use Potassium [(cyanomethyl)sulfanyl]acetate (CAS: 52069-54-2)?

Potassium [(cyanomethyl)sulfanyl]acetate (CAS: 52069-54-2) is used in various industries due to its reactivity and functional groups. It is particularly important in the pharmaceutical industry for the synthesis of certain drugs and intermediates. In the polymer industry, it can be used as a stabilizer or additive. It also finds applications in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Potassium [(cyanomethyl)sulfanyl]acetate (CAS: 52069-54-2)?

When handling Potassium [(cyanomethyl)sulfanyl]acetate (CAS: 52069-54-2), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to fumes. Avoid direct contact with skin and eyes. If a spill occurs, immediately clean it up using appropriate absorbent materials and follow the manufacturer's safety data sheet (SDS) guidelines for disposal.