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CAS 1029104-30-0

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1-[(1,1-Dimethylethyl)thio]-2-[isocyano[(4-methylphenyl)sulfonyl]methyl]benzene

Description:
1-[(1,1-Dimethylethyl)thio]-2-[isocyano[(4-methylphenyl)sulfonyl]methyl]benzene, with CAS number 1029104-30-0, is a complex organic compound characterized by its unique functional groups and structural features. This compound contains a thioether group, which contributes to its reactivity and potential applications in organic synthesis. The presence of an isocyanide functional group indicates that it may participate in various chemical reactions, including nucleophilic additions and cycloadditions, making it valuable in the development of pharmaceuticals and agrochemicals. The sulfonyl group attached to a methylphenyl moiety enhances its solubility and stability in various solvents. Additionally, the bulky tert-butyl group may influence the steric hindrance and overall molecular interactions. Overall, this compound's distinctive structure suggests potential utility in synthetic organic chemistry, particularly in the design of novel materials or biologically active molecules. However, specific safety and handling guidelines should be followed due to the potential hazards associated with its reactive functional groups.
Formula:C19H21NO2S2
InChI:InChI=1S/C19H21NO2S2/c1-14-10-12-15(13-11-14)24(21,22)18(20-5)16-8-6-7-9-17(16)23-19(2,3)4/h6-13,18H,1-4H3
InChI key:InChIKey=VQVZNHJPGJZCGI-UHFFFAOYSA-N
SMILES:C(S(=O)(=O)C1=CC=C(C)C=C1)([N+]#[C-])C2=C(SC(C)(C)C)C=CC=C2
Synonyms:
  • 1-[(1,1-Dimethylethyl)thio]-2-[isocyano[(4-methylphenyl)sulfonyl]methyl]benzene
  • Benzene, 1-[(1,1-dimethylethyl)thio]-2-[isocyano[(4-methylphenyl)sulfonyl]methyl]-
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