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CAS 306934-97-4

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4-Isothiocyanato-5-methyl-3-phenylisoxazole

Description:
4-Isothiocyanato-5-methyl-3-phenylisoxazole is a chemical compound characterized by its isothiocyanate functional group, which is known for its reactivity and potential biological activity. The compound features an isoxazole ring, a five-membered heterocyclic structure containing both nitrogen and oxygen, contributing to its unique chemical properties. The presence of the phenyl group and a methyl substituent on the isoxazole ring enhances its lipophilicity and may influence its interaction with biological targets. Isothiocyanates are often studied for their potential anticancer properties and other pharmacological effects, making this compound of interest in medicinal chemistry. Additionally, the compound's structure suggests it may participate in various chemical reactions, including nucleophilic attack and conjugation with biological molecules. Its specific applications and reactivity would depend on further studies, including its synthesis, stability, and interaction with other compounds. Overall, 4-Isothiocyanato-5-methyl-3-phenylisoxazole represents a class of compounds that may have significant implications in both synthetic and medicinal chemistry.
Formula:C11H8N2OS
InChI:InChI=1S/C11H8N2OS/c1-8-10(12-7-15)11(13-14-8)9-5-3-2-4-6-9/h2-6H,1H3
InChI key:InChIKey=KNEFMNKZFBOMNG-UHFFFAOYSA-N
SMILES:N(=C=S)C=1C(=NOC1C)C2=CC=CC=C2
Synonyms:
  • 4-Isothiocyanato-5-Methyl-3-Phenylisoxazole
  • Isoxazole, 4-isothiocyanato-5-methyl-3-phenyl-
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