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CAS 363179-58-2

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1-Fluoro-3-isothiocyanato-2-methylbenzene

Description:
1-Fluoro-3-isothiocyanato-2-methylbenzene, identified by its CAS number 363179-58-2, is an organic compound characterized by the presence of a fluorine atom, an isothiocyanate functional group, and a methyl group attached to a benzene ring. This compound features a fluorine substituent at the 1-position, a methyl group at the 2-position, and an isothiocyanate group at the 3-position of the aromatic ring, contributing to its unique reactivity and properties. Isothiocyanates are known for their biological activity, including potential applications in pharmaceuticals and agrochemicals. The presence of the fluorine atom can enhance the compound's lipophilicity and influence its interaction with biological targets. Additionally, the compound's structure suggests it may exhibit distinct physical properties such as solubility and volatility, which are important for its application in various chemical processes. Overall, 1-Fluoro-3-isothiocyanato-2-methylbenzene is a compound of interest in synthetic organic chemistry and materials science.
Formula:C8H6FNS
InChI:InChI=1S/C8H6FNS/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,1H3
InChI key:InChIKey=YZQYVLUFNMYFLM-UHFFFAOYSA-N
SMILES:N(=C=S)C1=C(C)C(F)=CC=C1
Synonyms:
  • 1-Fluoro-3-isothiocyanato-2-methylbenzene
  • Benzene, 1-fluoro-3-isothiocyanato-2-methyl- (9CI)
  • Benzene, 1-fluoro-3-isothiocyanato-2-methyl-
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