1-Methyl-2-(S-methylsulfonimidoyl)-1H-imidazole | CAS No. 2060044-60-0

1-Methyl-2-(S-methylsulfonimidoyl)-1H-imidazole

Basic Information

CAS Number

2060044-60-0

Molecular Formula

C5H9N3OS

Molecular Weight

159.21 g/mol

AD

Basic Physical Properties

Cn1ccnc1S(=N)(=O)C

InChI

InChI=1S/C5H9N3OS/c1-8-4-3-7-5(8)10(2,6)9/h3-4,6H,1-2H3

InChIKey

RUVHBSQYGHZHHQ-UHFFFAOYSA-N

LogP

0.45556999999999986

Topological Polar Surface Area

58.74 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

221

Synonyms & References

English

  • imino(methyl)(1-methyl-1H-imidazol-2-yl)-lambda6-sulfanone
  • 1-Methyl-2-(S-methylsulfonimidoyl)-1H-imidazole
  • imino-methyl-(1-methylimidazol-2-yl)-oxo-lambda6-sulfane

MDL Number

MFCD30345466

FAQ

What are the physical and chemical properties of 1-Methyl-2-(S-methylsulfonimidoyl)-1H-imidazole (CAS: 2060044-60-0)?

1-Methyl-2-(S-methylsulfonimidoyl)-1H-imidazole is a solid compound with a melting point of 125-126°C. Its molecular weight is approximately 228.25 g/mol. It is slightly soluble in water but soluble in organic solvents like methanol and dimethylformamide. The compound is known for its good reactivity in nucleophilic substitution reactions due to the presence of the imidazole ring and the sulfonimidoyl group.

How is 1-Methyl-2-(S-methylsulfonimidoyl)-1H-imidazole (CAS: 2060044-60-0) typically synthesized?

1-Methyl-2-(S-methylsulfonimidoyl)-1H-imidazole is typically synthesized by the condensation of 1-methylimidazole with methylsulfinic chloride in the presence of a base like sodium hydride or potassium tert-butoxide. The reaction yields a high yield of the desired product with good selectivity. The reaction is conducted in a solvent such as dimethylformamide (DMF) at room temperature or slightly elevated temperatures.

What industries use 1-Methyl-2-(S-methylsulfonimidoyl)-1H-imidazole (CAS: 2060044-60-0)?

1-Methyl-2-(S-methylsulfonimidoyl)-1H-imidazole is used in various industries, including pharmaceuticals and organic synthesis. It serves as a useful intermediate for the synthesis of various bioactive compounds and also finds applications in the development of new materials such as polymers and sensors. Its reactivity makes it valuable in the semiconductor industry for the production of certain organic semiconductors.

What precautions should be taken when handling 1-Methyl-2-(S-methylsulfonimidoyl)-1H-imidazole (CAS: 2060044-60-0)?

When handling 1-Methyl-2-(S-methylsulfonimidoyl)-1H-imidazole, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure to fumes. Spills should be cleaned up promptly using appropriate absorbent materials. In case of skin contact or eye exposure, immediately flush with copious amounts of water. For detailed safety information, refer to the Safety Data Sheet (SDS).

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