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CAS 86317-36-4

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2-Methyl-5-nitrophenyl isothiocyanate

Description:
2-Methyl-5-nitrophenyl isothiocyanate is an organic compound characterized by its isothiocyanate functional group, which is known for its reactivity and ability to form thioureas upon reaction with amines. This compound features a phenyl ring substituted with both a methyl group and a nitro group, contributing to its unique chemical properties. The presence of the nitro group typically enhances the electrophilicity of the aromatic system, making it more reactive towards nucleophiles. Isothiocyanates are often derived from the corresponding thioureas or can be synthesized through the reaction of isothiocyanate precursors with amines. This compound is of interest in various fields, including medicinal chemistry and agrochemicals, due to its potential biological activities, such as antimicrobial and anticancer properties. Additionally, 2-Methyl-5-nitrophenyl isothiocyanate may be used as a reagent in organic synthesis, particularly in the development of new pharmaceuticals or agrochemical agents. As with many isothiocyanates, it is important to handle this compound with care due to its potential toxicity and irritant properties.
Formula:C8H6N2O2S
InChI:InChI=1/C8H6N2O2S/c1-6-2-3-7(10(11)12)4-8(6)9-5-13/h2-4H,1H3
SMILES:Cc1ccc(cc1N=C=S)N(=O)=O
Synonyms:
  • 2-Isothiocyanato-1-Methyl-4-Nitrobenzene
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