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  • 3-Cyanophenyl isothiocyanate

    • 3-Cyanophenyl isothiocyanate

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    Catalog Number
    ACM3125788
    Product Name
    3-Cyanophenyl isothiocyanate
    Structure
    CAS
    3125-78-8
    Category
    Other Glass and Ceramic Materials
    IUPAC Name
    3-isothiocyanatobenzonitrile
    Molecular Weight
    160.2g/mol
    Molecular Formula
    C8H4N2S
    Canonical SMILES
    C1=CC(=CC(=C1)N=C=S)C#N
    InChI
    InChI=1S/C8H4N2S/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H
    InChI Key
    UXCYPHCFQAFVFH-UHFFFAOYSA-N
    Complexity
    222
    Covalently-Bonded Unit Count
    1
    Exact Mass
    160.009519g/mol
    Formal Charge
    0
    Heavy Atom Count
    11
    Log P
    3.13 (LogP)
    Monoisotopic Mass
    160.009519g/mol
    Rotatable Bond Count
    1
    XLogP3
    3.1
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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