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Cyanomethyl ethanethioate, also known as S-Methyl cyanoacetate or 3-(cyanothio)methyl propanoate, is a chemical compound with the molecular formula C5H7NO2S. It is a clear, colorless to pale yellow liquid with a pungent odor. This highly reactive compound is commonly used as an intermediate in organic synthesis and pharmaceutical manufacturing, playing a crucial role in the production of various pharmaceuticals and organic compounds.

59463-56-8

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59463-56-8 Usage

Uses

Used in Pharmaceutical Manufacturing:
Cyanomethyl ethanethioate is used as an intermediate in the synthesis of pharmaceuticals for its ability to undergo various chemical reactions, such as esterification, hydrolysis, and addition to double bonds. Its reactivity allows for the creation of a wide range of organic compounds, making it a valuable component in the development of new medications.
Used in Organic Synthesis:
In the field of organic synthesis, cyanomethyl ethanethioate is utilized as a versatile building block for the creation of complex organic molecules. Its capacity to participate in multiple types of chemical reactions contributes to the synthesis of a diverse array of organic compounds, expanding the possibilities for chemical research and product development.
Safety Considerations:
Given its classification as a hazardous substance, cyanomethyl ethanethioate requires careful handling to prevent irritation to the skin and eyes, as well as potential harm if swallowed or inhaled. Proper safety measures, including the use of personal protective equipment and adherence to safety protocols, are essential when working with CYANOMETHYL ETHANETHIOATE.

Check Digit Verification of cas no

The CAS Registry Mumber 59463-56-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,9,4,6 and 3 respectively; the second part has 2 digits, 5 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 59463-56:
(7*5)+(6*9)+(5*4)+(4*6)+(3*3)+(2*5)+(1*6)=158
158 % 10 = 8
So 59463-56-8 is a valid CAS Registry Number.
InChI:InChI=1/C4H5NOS/c1-4(6)7-3-2-5/h3H2,1H3

59463-56-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name S-(cyanomethyl) ethanethioate

1.2 Other means of identification

Product number -
Other names cyanomethyl thiolacetate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:59463-56-8 SDS

59463-56-8Relevant academic research and scientific papers

PPAR (peroxisome proliferator-activated receptor) agonist and application thereof to treatment of senile dementia and other diseases

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Paragraph 0544; 0547-0549, (2018/07/30)

The invention relates to a compound, namely a gamma-subtype peroxisome proliferator-activated receptor (PPAR) agonist. In addition, the invention discloses a medicinal component and a preparation containing the compound and application of such the gamma-subtype PPAR agonist.

ARYL VINYL SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF

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Page/Page column 80-81, (2008/06/13)

Compounds useful as antiproliferative agents, including, for example, anticancer agents, according to formula (I): wherein Ar1, Ar2, D, G, formula (a), m and n are as defined herein, salts, antibody conjugates, pharmaceutical compositions, methods of treatment, synthetic processes, and intermediates useful in such processes are provided.

Toxin-targeted design for anticancer therapy. I: Synthesis and biological evaluation of new thioimidate heterobifunctional reagents

Delprino,Giacomotti,Dosio,Brusa,Ceruti,Grosa,Cattel

, p. 506 - 512 (2007/10/02)

In an effort to obtain a more potent and specific immunotoxin for cancer therapy, we designed a series of heterobifunctional linkers characterized by a thioimidate group linked to a S-acetyl thiol (4, 5) or substituted aryldithio group (6-10). These ligands were synthesized by a Pinner-type process from the corresponding nitrile derivatives obtained by thiol- disulphide exchange reaction, reaction with substituted benzene-sulphenyl chloride, or other known procedures. To check the reagent of choice for immunoconjugate preparation, we studied thioldisulphide exchange kinetics between the intermediate nitrile derivatives and cysteine. Among the tested aryldithio derivatives (6-10), we selected ethyl 3-(4-carboxamido- phenyldithio)propionthioimidate (CDPT, 9) for further studies. By analyzing the rate of incorporation of the linkers 4, 5, and 9 in a model immunoglobulin G protein, we found similar results with CDPT 9 and ethyl S- acetyl 3-mercaptopropionthioimidate ester hydrochloride (AMPT, 5) because both reagents showed a linear correlation between the number of introduced thiol groups and factors such as time and protein and reagent concentrations. Comparison of the two acetylthio-derivative ligands 4 and 5 showed that AMPT 5 was more stable toward deacetylation than ethyl S-acetyl 2- mercaptopropionthioimidate ester hydrochloride (AMAT, 4). By comparing the kinetic and biological parameters of seven new thioimidate linkers, we found that two of these (CDPT and AMPT) could be superior ligands for protein- protein conjugation. They offer advantages over the commercially available compounds, such as minimal perturbation of the protein structure, controlled reactivity, and good stability.

Thiocyanohydrins, a new class of compounds, precursors of unstabilized thiocarbonyl derivatives

Gaumont,Wazneh,Denis

, p. 4927 - 4940 (2007/10/02)

Mono- and dialkylated thiocyanohydrins are prepared by alkylation of the parent compound 2 (NCCH2SH) under mild conditions. Some examples of the reactivity of this new class of compounds are also given.

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