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CAS 628-03-5

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3-Methylbutyl isothiocyanate

Description:
3-Methylbutyl isothiocyanate, with the CAS number 628-03-5, is an organic compound belonging to the class of isothiocyanates, which are characterized by the presence of the isothiocyanate functional group (-N=C=S). This compound is typically a colorless to pale yellow liquid with a pungent odor, reminiscent of mustard or horseradish, which is common among isothiocyanates. It is soluble in organic solvents but has limited solubility in water. 3-Methylbutyl isothiocyanate is known for its potential biological activity, including antimicrobial and anticancer properties, making it of interest in both food science and medicinal chemistry. It is often derived from the hydrolysis of glucosinolates found in cruciferous vegetables. Additionally, this compound can be used as a flavoring agent and is studied for its role in plant defense mechanisms. As with many isothiocyanates, it may exhibit irritant properties, necessitating careful handling in laboratory settings.
Formula:C6H11NS
InChI:InChI=1S/C6H11NS/c1-6(2)3-4-7-5-8/h6H,3-4H2,1-2H3
InChI key:InChIKey=JATNWMBUDXLMEO-UHFFFAOYSA-N
SMILES:C(CN=C=S)C(C)C
Synonyms:
  • 1-Isothiocyanato-3-methylbutane
  • Butane, 1-isothiocyanato-3-methyl-
  • Isoamyl isothiocyanate
  • Isopentyl isothiocyanate
  • Isothiocyanic acid, isopentyl ester
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Found 3 products.
  • CymitQuimica logo
    Apollo Scientific
    + Info

    3-Methylbutyl isothiocyanate

    CAS:
    <p>3-Methylbutyl isothiocyanate</p>
    Molecular weight:129.22324g/mol

    Ref: 54-OR1021534

    1g
    To inquire
    5g
    To inquire
  • 3-Methylbutyl isothiocyanate
    Fluorochem
    + Info

    3-Methylbutyl isothiocyanate

    CAS:
    Formula:C6H11NS
    Purity:99.0%
    Color and Shape:Liquid
    Molecular weight:129.22

    Ref: 10-F009526

    1g
    75.00€
  • 1-Isothiocyanato-3-methylbutane
    Biosynth
    + Info

    1-Isothiocyanato-3-methylbutane

    CAS:
    <p>1-Isothiocyanato-3-methylbutane is a plant growth factor that belongs to the class of glucosinolates. It has been shown to inhibit bacterial growth by binding to the section of glucosinolates, thereby preventing the formation of toxic metabolites. 1-Isothiocyanato-3-methylbutane has a minimal inhibitory concentration (MIC) between 0.1 and 0.5 micrograms/mL against many strains of bacteria and is biodegradable in soil. This compound is synthetic and can be used as an antibacterial agent for topical application on skin or wounds for its ability to kill bacteria on contact.</p>
    Formula:C6H11NS
    Purity:Min. 95%
    Molecular weight:129.22 g/mol

    Ref: 3D-FI135603

    2g
    860.00€