Cas no 313339-36-5 (4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide)

4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide is a versatile pyrimidine derivative widely used in pharmaceutical and agrochemical synthesis. Its reactive dichloro and methylthio substituents make it a valuable intermediate for constructing heterocyclic compounds, particularly in the development of active pharmaceutical ingredients (APIs) and crop protection agents. The carboxamide group enhances its solubility and reactivity, facilitating further functionalization. This compound exhibits high purity and stability, ensuring consistent performance in nucleophilic substitution and cross-coupling reactions. Its structural features allow for selective modifications, enabling tailored applications in medicinal chemistry and pesticide formulation. Suitable for controlled environments, it is handled under standard laboratory conditions with appropriate safety measures.
4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide structure
313339-36-5 structure
Product Name:4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide
CAS No:313339-36-5
MF:C6H5Cl2N3OS
MW:238.094397306442
MDL:MFCD15071707
CID:1028021
PubChem ID:329766504
Update Time:2025-05-21

4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide Chemical and Physical Properties

Names and Identifiers

    • 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide
    • 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carboxamide
    • 5-Pyrimidinecarboxamide, 4,6-dichloro-2-(methylthio)-
    • LogP
    • A875948
    • MFCD15071707
    • DB-068437
    • 313339-36-5
    • QTFKDTZXKGLBBX-UHFFFAOYSA-N
    • MB14691
    • s10995
    • 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide, 97%
    • DTXSID20743225
    • CS-0450887
    • SCHEMBL282489
    • 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide
    • MDL: MFCD15071707
    • Inchi: 1S/C6H5Cl2N3OS/c1-13-6-10-3(7)2(5(9)12)4(8)11-6/h1H3,(H2,9,12)
    • InChI Key: QTFKDTZXKGLBBX-UHFFFAOYSA-N
    • SMILES: ClC1C(C(N)=O)=C(N=C(N=1)SC)Cl

Computed Properties

  • Exact Mass: 236.95325
  • Monoisotopic Mass: 236.9530384g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 194
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 94.2?2

Experimental Properties

  • Melting Point: 239-244?°C
  • PSA: 68.87

4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H317
  • Warning Statement: P280
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 43
  • Safety Instruction: 36/37
  • Hazardous Material Identification: Xi

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4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide Suppliers

Amadis Chemical Company Limited
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(CAS:313339-36-5)4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide
Order Number:A875948
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:48
Price ($):287.0
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:313339-36-5)4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXAMIDE
Order Number:LE8037
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:58
Price ($):discuss personally

Additional information on 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide

4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide (CAS No. 313339-36-5): A Comprehensive Overview

4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide, also known by its CAS registry number 313339-36-5, is a compound of significant interest in the fields of organic chemistry, pharmacology, and agrochemicals. This compound belongs to the class of pyrimidine derivatives, which are well-known for their diverse biological activities and applications. The structure of 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide consists of a pyrimidine ring substituted with chlorine atoms at positions 4 and 6, a methylthio group at position 2, and a carboxamide group at position 5. These substituents contribute to the compound's unique chemical properties and biological functions.

The synthesis of 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide typically involves multi-step organic reactions, including nucleophilic substitutions, condensations, and oxidations. Recent advancements in synthetic methodologies have enabled the efficient production of this compound with high purity and yield. Researchers have explored various catalysts and reaction conditions to optimize the synthesis process, ensuring scalability for industrial applications.

In terms of biological activity, 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide has shown promising results in several assays. Studies have demonstrated its potential as an agrochemical agent, particularly as a fungicide or insecticide. The compound's ability to inhibit key enzymes involved in fungal growth and insect metabolism makes it a valuable candidate for crop protection products. Additionally, preliminary pharmacological studies suggest that this compound may exhibit anti-inflammatory and anticancer properties, warranting further investigation in preclinical models.

Recent research has focused on understanding the mechanism of action of 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide. For instance, studies using molecular docking techniques have revealed its binding affinity to specific protein targets associated with cellular signaling pathways. These findings provide insights into its potential therapeutic applications and guide the design of more potent derivatives.

The environmental impact of 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide is another area of active research. Assessments of its biodegradability and toxicity to non-target organisms are critical for determining its suitability as an agrochemical. Recent studies indicate that the compound exhibits moderate persistence in soil and water systems but does not pose significant risks to aquatic life at recommended application rates.

In conclusion, 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide (CAS No. 313339-36-5) is a versatile compound with diverse applications in agriculture and medicine. Its unique chemical structure and biological properties make it a valuable tool for researchers and industry professionals alike. As ongoing studies continue to uncover new insights into its mechanisms and applications, this compound holds promise for contributing to advancements in both fields.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:313339-36-5)4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxamide
A875948
Purity:99%
Quantity:5g
Price ($):287.0
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:313339-36-5)4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXAMIDE
LE8037
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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