5-Pyrimidinecarboxaldehyde, 2-(methylthio)-


Chemical Name: 5-Pyrimidinecarboxaldehyde, 2-(methylthio)-
CAS Number: 90905-31-0
Product Number: AG003HQN(AGN-PC-0KPW1K)
Synonyms:
MDL No:
Molecular Formula: C6H6N2OS
Molecular Weight: 154.1896

Identification/Properties


Properties
BP:
301.214 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
154.187g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
154.02g/mol
Monoisotopic Mass:
154.02g/mol
Topological Polar Surface Area:
68.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
112
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



2-(Methylthio)-5-pyrimidinecarboxaldehyde is a versatile compound that finds extensive application in chemical synthesis processes. With its unique structural properties, this compound serves as a key intermediate in the production of various pharmaceuticals, agrochemicals, and fine chemicals. Its functional groups allow for the modification of its structure to generate diverse derivatives, making it a valuable building block in organic synthesis. The compound's reactivity and stability make it especially useful in the development of novel compounds with potential biological activities. Additionally, its compatibility with a wide range of reaction conditions further enhances its utility in the synthesis of complex molecular structures. Overall, 2-(Methylthio)-5-pyrimidinecarboxaldehyde plays a crucial role in the advancement of chemical synthesis methodologies, enabling the creation of innovative compounds with applications across different industries.