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Isobutyl isothiocyanate

CAS 591-82-2: Isobutyl isothiocyanate

Description:Isobutyl isothiocyanate, with the CAS number 591-82-2, is an organic compound characterized by its isothiocyanate functional group attached to an isobutyl chain. It is a colorless to pale yellow liquid with a pungent odor, reminiscent of mustard or horseradish, which is typical of isothiocyanates. This compound is known for its potential biological activity, including antimicrobial and anticancer properties, making it of interest in both food science and medicinal chemistry. Isobutyl isothiocyanate is soluble in organic solvents but has limited solubility in water. It is relatively stable under normal conditions but can undergo hydrolysis in the presence of moisture, leading to the formation of thiourea derivatives. Due to its reactivity, it can participate in various chemical reactions, including nucleophilic substitutions. Safety precautions are necessary when handling this compound, as it can be irritating to the skin, eyes, and respiratory system. Overall, isobutyl isothiocyanate serves as a valuable compound in research and potential applications in agriculture and pharmaceuticals.

Formula:C5H9NS

InChI:InChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3

InChI key:InChIKey=NSDDRJXKROCWRZ-UHFFFAOYSA-N

SMILES:S=C=NCC(C)C

  • Synonyms:
  • 1-Isothiocyanato-2-methylpropane
  • 2-Methyl-1-propyl isothiocyanate
  • 2-Methylpropyl isothiocyanate
  • Brn 1740371
  • Einecs 209-733-2
  • Isothiocyanic acid, isobutyl ester
  • Propane, 1-isothiocyanato-2-methyl-
  • i-Butyl isothiocyanate
  • Isobutyl isothiocyanate
  • 4-04-00-00653 (Beilstein Handbook Reference)
  • See more synonyms
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Isobutyl Isothiocyanate

CAS:591-82-2

Ref: 3B-I0186

5ml29.00 €
25ml81.00 €
Estimated delivery in United States, on Thursday 24 Apr 2025
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Isobutyl isothiocyanate, 97%

CAS:591-82-2

Ref: 02-A18932

5g42.00 €
25g108.00 €
Estimated delivery in United States, on Friday 25 Apr 2025
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ISOBUTYL ISOTHIOCYANATE

CAS:591-82-2

Ref: IN-DA003R2R

5g75.00 €
25g197.00 €
100g602.00 €
Estimated delivery in United States, on Friday 2 May 2025
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Isobutyl Isothiocyanate

CAS:591-82-2

Ref: 7W-GX0704

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Estimated delivery in United States, on Friday 2 May 2025
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Isobutyl isothiocyanate

CAS:591-82-2

Ref: 54-OR28903

5g83.00 €
25g211.00 €
Estimated delivery in United States, on Friday 2 May 2025
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Isobutyl isothiocyanate

CAS:591-82-2

Ref: 10-F008985

1g34.00 €
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Estimated delivery in United States, on Tuesday 13 May 2025
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Isobutyl isothiocyanate

CAS:591-82-2

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