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CAS 36810-90-9

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3-Picolylisothiocyanate

Description:
3-Picolylisothiocyanate is an organic compound characterized by the presence of both a picolyl group and an isothiocyanate functional group. Its molecular structure features a pyridine ring, which contributes to its aromatic properties, and the isothiocyanate group (-N=C=S), known for its reactivity and ability to form thioureas and other derivatives. This compound is typically a yellow to brown solid or liquid, depending on its purity and specific conditions. It is soluble in organic solvents, such as ethanol and acetone, but has limited solubility in water. 3-Picolylisothiocyanate is of interest in various fields, including medicinal chemistry and agrochemicals, due to its potential biological activities, including antimicrobial and anticancer properties. Additionally, it can serve as a useful reagent in organic synthesis, particularly in the formation of thiocyanate derivatives. Safety precautions should be observed when handling this compound, as isothiocyanates can be irritants and may pose health risks upon exposure.
Formula:C7H6N2S
InChI:InChI=1S/C7H6N2S/c10-6-9-5-7-2-1-3-8-4-7/h1-4H,5H2
InChI key:InChIKey=BDSYDRBQHFQOQG-UHFFFAOYSA-N
SMILES:C(N=C=S)C=1C=CC=NC1
Synonyms:
  • 3-(Isothiocyanatomethyl)Pyridine
  • 3-Picolylisothiocyanate
  • Pyridine, 3-(isothiocyanatomethyl)-
  • 3-Pyridylmethyl isothiocyanate
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