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1,3-bis(4-methylpyridin-2-yl)thiourea is an organic compound with the chemical formula C12H12N4S. It is a derivative of thiourea, featuring two 4-methylpyridin-2-yl groups attached to the nitrogen atoms. 1,3-bis(4-methylpyridin-2-yl)thiourea is known for its potential applications in various fields, such as pharmaceuticals and materials science, due to its unique chemical structure and properties. It is characterized by its ability to form hydrogen bonds and its potential to act as a ligand in coordination chemistry. The compound's synthesis often involves the reaction of 4-methylpyridin-2-yl isothiocyanate with 1,3-diaminopropane, resulting in a product that can be further explored for its reactivity and potential uses in chemical research and development.

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  • 5440-92-6 Structure
  • Basic information

    1. Product Name: 1,3-bis(4-methylpyridin-2-yl)thiourea
    2. Synonyms:
    3. CAS NO:5440-92-6
    4. Molecular Formula: C13H14N4S
    5. Molecular Weight: 258.3421
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 5440-92-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 423.9°C at 760 mmHg
    3. Flash Point: 210.2°C
    4. Appearance: N/A
    5. Density: 1.313g/cm3
    6. Vapor Pressure: 2.15E-07mmHg at 25°C
    7. Refractive Index: 1.725
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 1,3-bis(4-methylpyridin-2-yl)thiourea(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1,3-bis(4-methylpyridin-2-yl)thiourea(5440-92-6)
    12. EPA Substance Registry System: 1,3-bis(4-methylpyridin-2-yl)thiourea(5440-92-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 5440-92-6(Hazardous Substances Data)

5440-92-6 Usage

Structure

Thiourea derivative containing two 4-methylpyridine groups

Field of application

Coordination chemistry

Potential applications

Medicinal chemistry and catalysis

Research interest

Interaction of metal ions with organic ligands

Development

New chemical reactions and processes

Promise

Potential drug candidate for treatment of certain diseases and conditions

Interest

Chemists and researchers in various fields

Check Digit Verification of cas no

The CAS Registry Mumber 5440-92-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,4 and 0 respectively; the second part has 2 digits, 9 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 5440-92:
(6*5)+(5*4)+(4*4)+(3*0)+(2*9)+(1*2)=86
86 % 10 = 6
So 5440-92-6 is a valid CAS Registry Number.

5440-92-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,3-bis(4-methylpyridin-2-yl)thiourea

1.2 Other means of identification

Product number -
Other names N,N'-Bis-<4-methyl-pyridyl-(2)>-thioharnstoff

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:5440-92-6 SDS

5440-92-6Downstream Products

5440-92-6Relevant articles and documents

Structural features of tetraazathiapentalenes fused with pyrimidine and/or pyridine rings. Experimental evaluation of the nature of hypervalent N-S-N bond by restricted internal rotation of the pyrimidine ring

Ohkata, Katsuo,Ohsugi, Minoru,Yamamoto, Kazuhiro,Ohsawa, Mika,Akiba, Kin-Ya

, p. 6355 - 6369 (2007/10/03)

A series of neutral (8-10), monomethylated (12-14), and dimethylated (17) 10-S-3 sulfuranes, derivatives of tetraazathiapentalenes fused with pyrimidine and/or pyridine ring, were prepared. These molecules are planar, and bond energies of the hypervalent

Molecular Conformation of N,N'-Diarylthioureas: an Assessment by 1H NMR and Infrared Spectroscopy

Sudha, L. V.,Manogaran, S.,Sathyanarayana, D. N.

, p. 591 - 596 (2007/10/02)

Several N,N'-dipyridyl- and N-phenyl-N'-pyridyl-thioureas were examined in different solvents at various temperatures by 1H NMR in order to study their conformational properties.The influence of concentration and the methyl substituent in the pyridine ring on the chemical shifts of the NH and pyridine groups was investigated.The observed chemical shifts are analysed in terms of the conformational properties of the molecules.Free energy barriers to the internal rotation about the C-N bonds have been determined.Infrared spectra have been measured to supplement the NMR studies.Intramolecular hydrogen bonding played a major role in the preferred conformation of pyridylthioureas.The data further revealed an interesting dynamic exchange phenomenon occuring in symmetric N,N'-dipyridylthioureas between two intramolecularly hydrogen bonded conformers.

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