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  • 1,4-Benzenedimethanethiol

    • 1,4-Benzenedimethanethiol

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    Catalog Number
    ACM105099
    Product Name
    1,4-Benzenedimethanethiol
    Structure
    CAS
    105-09-9
    Category
    Self-Assembly Materials
    Synonyms
    1,4-Benzenebis(methanethiol);4-(Sulfanylmethyl)benzyl hydrosulfide;alpha,alpha-p-Xylenedithiol;p-Xylene-alpha,alpha-dithiol;1,4-BIS(MERCAPTOMETHYL)BENZENE;1,4-BENZENEDIMETHANETHIOL;ALPHA,ALPHA-DIMERCAPTO-P-XYLENE;P-XYLYLENEDITHIOL
    IUPAC Name
    [4-(sulfanylmethyl)phenyl]methanethiol
    Molecular Weight
    170.3g/mol
    Molecular Formula
    C8H10S2
    Canonical SMILES
    C1=CC(=CC=C1CS)CS
    InChI
    InChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
    InChI Key
    IYPNRTQAOXLCQW-UHFFFAOYSA-N
    Purity
    MP 117-119deg
    Complexity
    73.3
    Covalently-Bonded Unit Count
    1
    EC Number
    203-269-4
    Exact Mass
    170.022393g/mol
    Formal Charge
    0
    Heavy Atom Count
    10
    MeSH Entry Terms
    1,3-benzenedimethanethiol;1,4-benzenedimethanethiol
    Monoisotopic Mass
    170.022393g/mol
    NSC Number
    72094
    Rotatable Bond Count
    2
    UNII
    K48UBZ9IMD
    XLogP3
    2.1
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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