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    1. Product Name: 3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE
    2. Synonyms: 3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE;3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE 97%;3-AMINO-4-CYANO-5-(METHYLTHIO)PYRAZOLE;3-amino-5-(methylthio)-1H-pyrazole-4-carbonitrile
    3. CAS NO:72760-85-1
    4. Molecular Formula: C5H6N4S
    5. Molecular Weight: 154.19
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 72760-85-1.mol
    9. Article Data: 8
  • Chemical Properties

    1. Melting Point: 148-150°C
    2. Boiling Point: 475.2 °C at 760 mmHg
    3. Flash Point: 241.2 °C
    4. Appearance: /
    5. Density: 1.45 g/cm3
    6. Vapor Pressure: 3.4E-09mmHg at 25°C
    7. Refractive Index: 1.662
    8. Storage Temp.: 2-8°C(protect from light)
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE(72760-85-1)
    12. EPA Substance Registry System: 3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE(72760-85-1)
  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 20/21/22-22
    3. Safety Statements: 36
    4. RIDADR: 3276
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: 6.1
    8. PackingGroup: III
    9. Hazardous Substances Data: 72760-85-1(Hazardous Substances Data)

72760-85-1 Usage

Description

3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE is a pyrazole derivative chemical compound with the molecular formula C5H6N4S. It features an amino group, a methylthio group, and a cyano group, and is widely recognized for its role as an intermediate in the synthesis of pharmaceuticals and agrochemicals. 3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE has garnered interest due to its potential biological activities, such as antimicrobial and antiproliferative properties, and its exploration as a building block in drug discovery and development.

Uses

Used in Pharmaceutical Industry:
3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs, particularly those targeting specific biological pathways or diseases.
Used in Agrochemical Industry:
In the agrochemical sector, 3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE serves as an intermediate in the production of agrochemicals. Its properties make it suitable for the creation of compounds that can be used in pest control and crop protection, contributing to enhanced agricultural productivity.
Used in Drug Discovery and Development:
3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE is utilized as a building block in drug discovery and development. Its potential biological activities, such as antimicrobial and antiproliferative properties, make it a valuable compound for exploring new therapeutic agents and advancing the field of medicinal chemistry.
Used in Antimicrobial Applications:
3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE has been studied for its antimicrobial properties, making it a candidate for use in applications aimed at controlling or eliminating harmful microorganisms. This can be particularly relevant in various industries such as healthcare, food safety, and water treatment.
Used in Antiproliferative Applications:
3-AMINO-5-(METHYLTHIO)PYRAZOLE-4-CARBONITRILE's antiproliferative properties have been of interest for its potential use in controlling the proliferation of cells, which can be particularly useful in the development of treatments for diseases characterized by uncontrolled cell growth, such as cancer.

Check Digit Verification of cas no

The CAS Registry Mumber 72760-85-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,2,7,6 and 0 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 72760-85:
(7*7)+(6*2)+(5*7)+(4*6)+(3*0)+(2*8)+(1*5)=141
141 % 10 = 1
So 72760-85-1 is a valid CAS Registry Number.
InChI:InChI=1/C5H6N4S/c1-10-5-3(2-6)4(7)8-9-5/h1H3,(H3,7,8,9)

72760-85-1 Well-known Company Product Price

  • Brand
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  • Alfa Aesar

  • (B20991)  3-Amino-5-methylthio-1H-pyrazole-4-carbonitrile, 97%   

  • 72760-85-1

  • 1g

  • 548.0CNY

  • Detail
  • Alfa Aesar

  • (B20991)  3-Amino-5-methylthio-1H-pyrazole-4-carbonitrile, 97%   

  • 72760-85-1

  • 5g

  • 2377.0CNY

  • Detail
  • Alfa Aesar

  • (B20991)  3-Amino-5-methylthio-1H-pyrazole-4-carbonitrile, 97%   

  • 72760-85-1

  • 25g

  • 9925.0CNY

  • Detail
  • Aldrich

  • (732648)  3-Amino-5-(methylthio)pyrazole-4-carbonitrile  

  • 72760-85-1

  • 732648-250MG

  • 679.77CNY

  • Detail

72760-85-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Amino-5-(methylthio)-1H-pyrazole-4-carbonitrile

1.2 Other means of identification

Product number -
Other names 5-amino-3-methylsulfanyl-1H-pyrazole-4-carbonitrile

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:72760-85-1 SDS

72760-85-1Relevant articles and documents

One-pot sequential double annulations cascade reaction for imidazo[1,2-b]pyrazoles synthesis

Goli, Shokoufe,Mirzaei, Peiman,Bazgir, Ayoob

, p. 2803 - 2809 (2018)

Abstract: We have developed efficient and green methods for the synthesis of imidazo[1,2-b]pyrazole derivatives by Groebke–Blackburn–Bienaymé (GBB) reaction of 5-aminopyrazole, aldehyde and trimethylsilyl cyanid under thermal condition in 1-n-butyl-3-methylimidazolium tetrafluoroborate [Bmim]BF4 ionic liquid. A one-pot sequential double annulation cascade reaction has also been demonstrated for imidazo[1,2-b]pyrazoles synthesis.

Reactive intermediates in the reaction of hydrazinecarbothioamides with 2-(bis(methylthio)methylene)malononitrile and ethyl 2-cyano-3,3-bis(methylthio)acrylate

Aly, Ashraf A.,Hassan, Alaa A.,Mohamed, Nasr K.,El-Shaieb, Kamal M.,Makhlouf, Maysa M.,Br?se, Stefan,Nieger, Martin

, p. 613 - 631 (2018/11/10)

Abstract: The reaction of N-substituted hydrazinecarbothioamides with both 2-(bis(methylthio)methylene)malononitrile and ethyl 2-cyano-3,3-bis(methylthio)acrylate afforded various heterocyclic rings such as 5-amino-4-cyano-3-(methylthio)-N-phenyl-1H-pyrazole-1-carbothioamide, 5-amino-3-(methylthio)-1H-pyrazole-4-carbonitrile, 4-substituted-3-(substituted amino)-1H-1,2,4-triazole-5(4H)-thione, ethyl 5-amino-3-(methylthio)-1-(substituted carbamothioyl)-1H-pyrazole-4-carboxylate, and (Z)-ethyl 2-cyano-2-(5-(substituted amino)-1,3,4-thiadiazol-2(3H)-ylidene)acetate. However, under gentle heating, the reaction of the same starting substances behaved differently. The structure of the obtained products was fully characterized using different spectral techniques including infrared (IR), nuclear magnetic resonance (NMR), and mass spectrometry (MS) together with elemental analyses as well as single-crystal X-ray diffraction analysis. Graphical abstract: [Figure not available: see fulltext.].

PYRAZOLOPYRIMIDINE COMPOUND

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Page/Page column 17-18, (2009/12/07)

Disclosed is a novel compound having Syk and/or Abl inhibitory activities, which is useful for prevention/treatment of allergic diseases, autoimmune diseases, arthritides and cancers. Specifically disclosed is a pyrazolopyrimidine compound represented by

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