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2-Mercapto-7-methoxy-quinoline-3-carbonitrile, a quinoline derivative with the molecular formula C11H8N2O2S, features a carbonitrile functional group and a mercapto and methoxy substituent at the 2and 7positions, respectively. This chemical compound has garnered interest due to its potential pharmaceutical properties, including antimicrobial and antiproliferative activities. Its unique structure and properties position it as a promising candidate for further scientific exploration and potential drug development.

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  • 116705-02-3 Structure
  • Basic information

    1. Product Name: 2-MERCAPTO-7-METHOXY-QUINOLINE-3-CARBONITRILE
    2. Synonyms: 2-MERCAPTO-7-METHOXY-QUINOLINE-3-CARBONITRILE
    3. CAS NO:116705-02-3
    4. Molecular Formula: C11H8N2OS
    5. Molecular Weight: 216.26
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 116705-02-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 426.5 °C at 760 mmHg
    3. Flash Point: 211.7 °C
    4. Appearance: /
    5. Density: 1.36g/cm3
    6. Vapor Pressure: 4.31E-05mmHg at 25°C
    7. Refractive Index: 1.679
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 7.94±0.40(Predicted)
    11. CAS DataBase Reference: 2-MERCAPTO-7-METHOXY-QUINOLINE-3-CARBONITRILE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-MERCAPTO-7-METHOXY-QUINOLINE-3-CARBONITRILE(116705-02-3)
    13. EPA Substance Registry System: 2-MERCAPTO-7-METHOXY-QUINOLINE-3-CARBONITRILE(116705-02-3)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 116705-02-3(Hazardous Substances Data)

116705-02-3 Usage

Uses

Used in Organic Synthesis:
2-Mercapto-7-methoxy-quinoline-3-carbonitrile is utilized as a key intermediate in the synthesis of various organic compounds. Its unique structure allows for the creation of novel molecules with potential applications in different fields.
Used in Chemical Research:
As a quinoline derivative, 2-Mercapto-7-methoxy-quinoline-3-carbonitrile serves as a valuable subject for chemical research, providing insights into the properties and reactions of quinoline-based compounds.
Used in Pharmaceutical Development:
2-Mercapto-7-methoxy-quinoline-3-carbonitrile is used as a potential pharmaceutical agent due to its demonstrated antimicrobial and antiproliferative activities. Its ability to inhibit the growth of certain microorganisms and reduce the proliferation of cells makes it a candidate for the development of new drugs to treat infections and control cell growth disorders.
Used in Antimicrobial Applications:
In the field of microbiology, 2-Mercapto-7-methoxy-quinoline-3-carbonitrile is employed as an antimicrobial agent, targeting a range of bacteria and other microorganisms. Its effectiveness in inhibiting microbial growth contributes to the development of new antimicrobial therapies.
Used in Antiproliferative Applications:
2-Mercapto-7-methoxy-quinoline-3-carbonitrile is used as an antiproliferative agent, particularly in the context of cancer research. Its ability to reduce cell proliferation makes it a potential candidate for the development of treatments aimed at controlling the growth of cancerous cells.
Used in Drug Development Industry:
2-Mercapto-7-methoxy-quinoline-3-carbonitrile is used as a lead compound in the drug development industry. Its unique chemical properties and potential therapeutic effects make it an attractive target for the creation of new pharmaceuticals to address various health conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 116705-02-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,6,7,0 and 5 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 116705-02:
(8*1)+(7*1)+(6*6)+(5*7)+(4*0)+(3*5)+(2*0)+(1*2)=103
103 % 10 = 3
So 116705-02-3 is a valid CAS Registry Number.
InChI:InChI=1/C11H8N2OS/c1-14-9-3-2-7-4-8(6-12)11(15)13-10(7)5-9/h2-5H,1H3,(H,13,15)

116705-02-3SDS

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 2-MERCAPTO-7-METHOXY-QUINOLINE-3-CARBONITRILE

1.2 Other means of identification

Product number -
Other names -

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 -
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More Details:116705-02-3 SDS

116705-02-3Relevant articles and documents

Isothiazolo-fused quinoline analogues: Synthesis of isothiazolo [5, 4-b] quinolines and their oxidation products, 3[2H]-one-l, 1-dioxideisothiazolo [5, 4-b] quinolines from 2-chloro-3-formylquinolines

Srivastava,Chandra, Atish,Singh

, p. 303 - 307 (2008/02/08)

A convenient synthesis of isothiazolo[5,4-b]quinolines 2 is achieved in two steps from the reaction of 2-chloro-3formylquinolines 1 with sodium sulfide and hydroxylamine sequences followed by cyclisation with acetic anhydride. The subsequent oxidation of 2 with H2O2 in acetic acid yields 3(2H)-one-l, 1-dioxideisothiazolo [5, 4-b] quinolines 3.

Thiophene-fused quinoline analogues: Facile synthesis of 3-amino-2-cyanothieno [2, 3-b] quinolines from 2-chloro-3-cyanoquinolines

Srivastava, Ambika,Chandra, Atish,Singh

, p. 2077 - 2081 (2007/10/03)

Starting from 2-chloro-3-cyanoquinolines and chloroacetonitrile, a series of 3-amino-2-cyanothieno [2, 3-b] quinoline derivatives have been prepared and characterized spectroscopically. The validity and presence of amino group in products are further evaluated from different routes.

Synthesis of 2-aryl-1,2,3,4-tetrahydropyridothienoquinolin-4-ones

Nandeeshaiah, S. K.,Ambekar, Sarvottam Y.

, p. 375 - 379 (2007/10/02)

The synthesis of a new tetracyclic condensed quinoline system is reported by a novel method.The method involves β-enamino carbonyl compound as starting material to get 1-quinolin-2-yl>-3-aryl-2-propen-1-one, which in turn is cyclised

Synthesis of Pyrimidothienoquinolin-4(3H)-ones

Raj, T. Tilak,Ambekar, Sarvottam Y.

, p. 537 - 551 (2007/10/02)

The Synthesis of compounds containing a novel tetracyclic condensed quinoline system, pyrimidothienoquinoline, by successive building up of thiophene and pyrimidine rings on quinoline, employing 3-cyanoquinoline-2(1H)-thiones(IV) as key intermediates, is reported.

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