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Cyclopropyl isothiocyanate is an organic compound that serves as a crucial raw material and intermediate in various chemical industries, including organic synthesis, pharmaceuticals, agrochemicals, and dyestuffs. Its unique chemical structure and properties make it a versatile component in the development of new compounds and products.

56601-42-4

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56601-42-4 Usage

Uses

Used in Organic Synthesis:
Cyclopropyl isothiocyanate is used as a key intermediate for the synthesis of various organic compounds. Its reactivity and structural characteristics allow it to be a building block in the creation of complex molecules and contribute to the advancement of organic chemistry.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, cyclopropyl isothiocyanate is utilized as a starting material for the development of new drugs and therapeutic agents. Its unique properties enable the design and synthesis of novel pharmaceutical compounds with potential applications in treating various diseases and medical conditions.
Used in Agrochemicals:
Cyclopropyl isothiocyanate is employed as a vital component in the formulation of agrochemicals, such as pesticides and herbicides. Its incorporation into these products enhances their effectiveness in controlling pests and weeds, thereby contributing to increased crop yields and improved agricultural productivity.
Used in Dyestuff Industry:
In the dyestuff industry, cyclopropyl isothiocyanate is used as a raw material for the production of various dyes and pigments. Its chemical properties make it suitable for the development of new colorants with improved performance characteristics, such as enhanced color strength, lightfastness, and resistance to fading.

Check Digit Verification of cas no

The CAS Registry Mumber 56601-42-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,6,6,0 and 1 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 56601-42:
(7*5)+(6*6)+(5*6)+(4*0)+(3*1)+(2*4)+(1*2)=114
114 % 10 = 4
So 56601-42-4 is a valid CAS Registry Number.
InChI:InChI=1/C4H5NS/c6-3-5-4-1-2-4/h4H,1-2H2

56601-42-4 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • Alfa Aesar

  • (L11985)  Cyclopropyl isothiocyanate, 97%   

  • 56601-42-4

  • 1g

  • 499.0CNY

  • Detail
  • Alfa Aesar

  • (L11985)  Cyclopropyl isothiocyanate, 97%   

  • 56601-42-4

  • 5g

  • 1777.0CNY

  • Detail
  • Aldrich

  • (709352)  Cyclopropylisothiocyanate  97%

  • 56601-42-4

  • 709352-1G

  • 589.68CNY

  • Detail
  • Aldrich

  • (709352)  Cyclopropylisothiocyanate  97%

  • 56601-42-4

  • 709352-5G

  • 2,005.38CNY

  • Detail

56601-42-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name Cyclopropyl isothiocyanate

1.2 Other means of identification

Product number -
Other names CYCLOPROPYL ISOTHIOCYANATE

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:56601-42-4 SDS

56601-42-4Relevant academic research and scientific papers

Aminobenzimidazoles and Structural Isomers as Templates for Dual-Acting Butyrylcholinesterase Inhibitors and hCB2R Ligands To Combat Neurodegenerative Disorders

Dolles, Dominik,Nimczick, Martin,Scheiner, Matthias,Ramler, Jacqueline,Stadtmüller, Patricia,Sawatzky, Edgar,Drakopoulos, Antonios,Sotriffer, Christoph,Wittmann, Hans-Joachim,Strasser, Andrea,Decker, Michael

supporting information, p. 1270 - 1283 (2016/07/27)

A pharmacophore model for butyrylcholinesterase (BChE) inhibitors was applied to a human cannabinoid subtype 2 receptor (hCB2R) agonist and verified it as a first-generation lead for respective dual-acting compounds. The design, synthesis, and pharmacological evaluation of various derivatives led to the identification of aminobenzimidazoles as second-generation leads with micro- or sub-micromolar activities at both targets and excellent selectivity over hCB1and AChE, respectively. Computational studies of the first- and second-generation lead structures by applying molecular dynamics (MD) on the active hCB2R model, along with docking and MD on hBChE, has enabled an explanation of their binding profiles at the protein levels and opened the way for further optimization. Dual-acting compounds with “balanced” affinities and excellent selectivities could be obtained that represent leads for treatment of both cognitive and pathophysiological impairment occurring in neurodegenerative disorders.

ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME

-

Paragraph 0094; 0096; 0098, (2013/05/21)

The present invention provides glucosinolate and isothiocyanate compounds and related methods for synthesizing these compounds and analogs. In certain embodiments, these glucosinolate and isothiocyanate compounds are useful and chemopreventive and or chemotherapeutic agents.

Synthesis and antifungal activity of 1,2,4-triazole derivatives containing cyclopropane moiety

Tan, Cheng-Xia,Shi, Yan-Xia,Weng, Jian-Quan,Liu, Xing-Hai,Li, Bao-Ju,Zhao, Wei-Guang

experimental part, p. 431 - 435 (2012/07/03)

A new series of 1,2,4-triazoles containing cyclopropane moiety were synthesized and characterized by 1H NMR and elemental analyses. The biological activities results showed that most of them exhibited significant fungicidal activity towards six test fungi. Among them, several showed superiority over the commercial fungicide during the present study.

ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIOS CONTAINING SAME

-

Page/Page column 26, (2008/06/13)

The present invention provides glucosinolate and isothiocyante compounds and related methods for synthesizing these compounds and analogs. In certain embodiments, these glucosinolate and isothiocyanate compounds are useful and chemopreventive and or chemotherapeutic agents.

SUBSTITUTED N-ALKYLPYRIMIDINONES

-

Page/Page column 200, (2010/11/08)

This invention is directed generally to substituted pyrimidinone compounds that generally inhibit p38 kinase, TNF, and/or cyclooxygenase activity. Such substituted pyrimidinone include compounds generally corresponding in structure to the following formula (I): wherein R1, R2, R3, R4A, R4B, R4C, R4D and R4E are as defined in this specification. This invention also is directed to compositions of such substituted pyrimidinones (particularly pharmaceutical compositions), intermediates for the syntheses of such substituted pyrimidinones, methods for making such substituted pyrimidinones, and methods for treating (including preventing) conditions (typically pathological conditions) associated with p38 kinase activity, TNF activity, and/or cyclooxygenase-2 activity.

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