51333-80-3 Usage
Description
3-(Methylthio)Phenyl Isothiocyanate, with the CAS Number 31795-67-0, is a chemical compound that is part of the isothiocyanate group. It has a molecular formula of C8H7NS2 and is characterized by the functional group -N=C=S. 3-(METHYLTHIO)PHENYL ISOTHIOCYANATE is commonly found in cruciferous vegetables and is primarily used in research and organic synthesis due to its reactivity. However, it should be handled with caution as it may possess hazardous or toxic properties and is not intended for food, drug, or household applications.
Uses
Used in Research Applications:
3-(Methylthio)Phenyl Isothiocyanate is used as a research chemical for the study of its properties and potential applications in various scientific fields. Its reactivity makes it a valuable compound for exploring new chemical reactions and syntheses.
Used in Organic Synthesis:
In the field of organic chemistry, 3-(Methylthio)Phenyl Isothiocyanate is employed as a key intermediate in the synthesis of various organic compounds. Its unique structure allows for the creation of a wide range of molecules, making it an important tool in the development of new chemical entities.
Used in Pharmaceutical Development:
Although not intended for direct use in food, drugs, or household products, 3-(Methylthio)Phenyl Isothiocyanate may be utilized in the early stages of pharmaceutical development. Its potential as a building block for new drug molecules is being explored, with the aim of discovering novel therapeutic agents.
Check Digit Verification of cas no
The CAS Registry Mumber 51333-80-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,1,3,3 and 3 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 51333-80:
(7*5)+(6*1)+(5*3)+(4*3)+(3*3)+(2*8)+(1*0)=93
93 % 10 = 3
So 51333-80-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H7NS2/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3
51333-80-3Relevant articles and documents
Synthesis of N-CF3Alkynamides and Derivatives Enabled by Ni-Catalyzed Alkynylation of N-CF3Carbamoyl Fluorides
Nielsen, Christian D.-T.,Schoenebeck, Franziska,Zivkovic, Filip G.
supporting information, p. 13029 - 13033 (2021/09/07)
The expansion of chemical space associated with ubiquitous motifs is key to unleash new properties and functions. In this context, alkynamides, prevalent in numerous drugs and materials, represent an untapped resource. We herein report the first synthetic access to N-trifluoromethyl alkynamides. Our strategy relies on a mild and operationally simple Ni-catalyzed coupling of N-CF3 carbamoyl fluorides with alkynyl silanes. The synthesized N-CF3 alkynamides proved to be highly robust and readily functioned as a platform to unlock access to valuable derivatives, such as N-CF3 decorated alkenyl amides, oxindoles, or quinolones, all of which were inaccessible to date.
Synthesis of Isothiocyanates and Unsymmetrical Thioureas with the Bench-Stable Solid Reagent (Me4N)SCF3
Scattolin, Thomas,Klein, Alexander,Schoenebeck, Franziska
supporting information, p. 1831 - 1833 (2017/04/11)
A highly efficient, selective, and rapid transformation of primary amines and diamines to isothiocyanates and cyclic thioureas is disclosed. As opposed to established approaches that employ toxic or volatile electrophilic liquids and require reaction control (i.e., slow addition, cooling), this protocol utilizes the bench-stable, solid reagent (Me4N)SCF3 at room temperature. The method is characterized by operational simplicity, high speed, efficiency, high functional group tolerance, and late-stage applicability. The byproducts are solids, allowing isolation of the target compounds by filtration.
