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  • 1,4-Butanedithiol

    • 1,4-Butanedithiol

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    Catalog Number
    ACM1191088
    CAS Number
    1191-08-8
    Product Name
    1,4-Butanedithiol
    Structure
    Category
    Self-Assembly Materials; Monomers
    Synonyms
    1,4-Dibutyl mercaptan
    IUPAC Name
    Butane-1,4-dithiol
    Molecular Weight
    122.3
    Molecular Formula
    C4H10S2
    Canonical SMILES
    C(CCS)CS
    InChI
    InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2
    InChI Key
    SMTOKHQOVJRXLK-UHFFFAOYSA-N
    Boiling Point
    105-106 °C
    Melting Point
    -53.9 °C
    Flash Point
    >230 °F
    Purity
    95%+
    Density
    1.042 g/mL at 25 °C(lit.)
    Complexity
    17.5
    Covalently-Bonded Unit Count
    1
    EC Number
    214-728-3
    Exact Mass
    122.02239267
    Formal Charge
    0
    Heavy Atom Count
    6
    Monoisotopic Mass
    122.02239267
    NSC Number
    60198
    Refractive Index
    n20/D 1.529(lit.)
    Rotatable Bond Count
    3
    Topological Polar Surface Area
    2 Ų
    UNII
    7JD227IUMC
    XLogP3
    1.5
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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