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  • 4-tert-Butyldiphenyl sulfide

  • 4-tert-Butyldiphenyl sulfide

    Catalog Number
    ACM85609036
    CAS Number
    85609-03-6
    Product Name
    4-tert-Butyldiphenyl sulfide
    Structure
    Category
    Polymers
    IUPAC Name
    1-tert-butyl-4-phenylsulfanylbenzene
    Molecular Weight
    242.4g/mol
    Molecular Formula
    C16H18S
    Canonical SMILES
    CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC=C2
    InChI
    InChI=1S/C16H18S/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14/h4-12H,1-3H3
    InChI Key
    KGRAEJDVHXHGSQ-UHFFFAOYSA-N
    Purity
    >98.0%(GC)
    Complexity
    214
    Covalently-Bonded Unit Count
    1
    Exact Mass
    242.112922g/mol
    Formal Charge
    0
    Heavy Atom Count
    17
    Monoisotopic Mass
    242.112922g/mol
    Rotatable Bond Count
    3
    XLogP3
    5.7
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