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CAS 113504-93-1

:

1,3-benzodioxol-5-yl isothiocyanate

Description:
1,3-Benzodioxol-5-yl isothiocyanate is an organic compound characterized by the presence of a benzodioxole moiety and an isothiocyanate functional group. This compound features a fused bicyclic structure that includes two ether linkages, contributing to its stability and unique reactivity. Isothiocyanates are known for their pungent odor and are often associated with various biological activities, including potential anticancer properties. The presence of the isothiocyanate group allows for nucleophilic attack, making it a versatile intermediate in organic synthesis. This compound may also exhibit antimicrobial and anti-inflammatory effects, which have been the subject of research in medicinal chemistry. Its solubility in organic solvents and reactivity with nucleophiles further enhance its utility in chemical reactions. As with many isothiocyanates, safety precautions should be taken due to potential toxicity and irritant properties. Overall, 1,3-benzodioxol-5-yl isothiocyanate is a compound of interest in both synthetic and medicinal chemistry contexts.
Formula:C8H5NO2S
InChI:InChI=1/C8H5NO2S/c12-4-9-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2
SMILES:c1cc2c(cc1N=C=S)OCO2
Synonyms:
  • 1,3-Benzodioxole, 5-isothiocyanato-
  • 3,4-Methylenedioxyphenyl isothiocyanate
  • 5-Isothiocyanato-1,3-Benzodioxole
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Purity (%)
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100
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0
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50
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90
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95
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100
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