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CAS 58379-81-0

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1-[(1-Isocyanopropyl)sulfonyl]-4-methylbenzene

Description:
1-[(1-Isocyanopropyl)sulfonyl]-4-methylbenzene, identified by its CAS number 58379-81-0, is an organic compound characterized by the presence of both isocyanate and sulfonyl functional groups. This compound features a sulfonyl group attached to a para-substituted methylbenzene ring, which contributes to its aromatic properties. The isocyanopropyl moiety introduces reactivity typical of isocyanates, making it useful in various chemical syntheses and applications, particularly in the production of polymers and pharmaceuticals. The presence of the sulfonyl group enhances its solubility in polar solvents and may influence its reactivity and interaction with biological systems. Additionally, the compound's structure suggests potential applications in materials science and medicinal chemistry, although specific safety and handling guidelines should be observed due to the reactivity of isocyanate groups. Overall, this compound exemplifies the diverse functionalities that can be integrated into organic molecules for specialized applications.
Formula:C11H13NO2S
InChI:InChI=1/C11H13NO2S/c1-4-11(12-3)15(13,14)10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-2H3
InChI key:InChIKey=HLITUPWOVBUZQH-UHFFFAOYSA-N
SMILES:S(C(CC)[N+]#[C-])(=O)(=O)C1=CC=C(C)C=C1
Synonyms:
  • 1-(1-Isocyanopropanesulfonyl)-4-methylbenzene
  • 1-Ethyl-1-tosylmethyl isocyanide
  • 1-Isocyanopropyl 4-methylphenyl sulfone
  • Benzene, 1-[(1-Isocyanopropyl)Sulfonyl]-4-Methyl-
  • 1-[(1-Isocyanopropyl)sulfonyl]-4-methylbenzene
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