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  • Allyl Methyl Sulfide

    • Allyl Methyl Sulfide

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    Catalog Number
    ACM10152768
    Product Name
    Allyl Methyl Sulfide
    Structure
    CAS
    10152-76-8
    Category
    Monomers
    Synonyms
    3-Methylthio-1-propene
    Description
    Allyl methyl sulfide is a bioactive organosulfur compound found in garlic. Allyl methyl sulfide exhibits antibacterial, antioxidant and anticancer properties.
    IUPAC Name
    3-Methylsulfanylprop-1-ene
    Molecular Weight
    88.17
    Molecular Formula
    C4H8S
    Canonical SMILES
    CSCC=C
    InChI
    InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3
    InChI Key
    NVLPQIPTCCLBEU-UHFFFAOYSA-N
    Boiling Point
    91-93 °C
    Flash Point
    65 °F
    Purity
    95%+
    Density
    0.803 g/mL at 25 °C(lit.)
    Complexity
    24.8
    Covalently-Bonded Unit Count
    1
    EC Number
    233-422-0
    Exact Mass
    88.03467143
    Formal Charge
    0
    Heavy Atom Count
    5
    MeSH Entry Terms
    3-methylthio-1-propene;allyl methyl sulfide;allylmethylsulfide;methyl propenyl sulfide
    Monoisotopic Mass
    88.03467143
    Refractive Index
    n20/D 1.4714(lit.)
    Rotatable Bond Count
    2
    Storage Conditions
    2-8 °C
    Topological Polar Surface Area
    25.3 Ų
    UNII
    V7QI1R316C
    XLogP3
    1.5
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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