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  • Tetrabutylammonium Bis(4-methyl-1,2-benzenedithiolato)nickelate, ≥98%

  • Tetrabutylammonium Bis(4-methyl-1,2-benzenedithiolato)nickelate, ≥98%

    Catalog Number
    ACM15492429-1
    CAS Number
    15492-42-9
    Product Name
    Tetrabutylammonium Bis(4-methyl-1,2-benzenedithiolato)nickelate, ≥98%
    Category
    Other Materials
    IUPAC Name
    4-methylbenzene-1,2-dithiolate;nickel(3+);tetrabutylazanium
    Molecular Weight
    609.7g/mol
    Molecular Formula
    C30H48NNiS4
    Canonical SMILES
    CCCC[N+](CCCC)(CCCC)CCCC.CC1=CC(=C(C=C1)[S-])[S-].CC1=CC(=C(C=C1)[S-])[S-].[Ni+3]
    InChI
    InChI=1S/C16H36N.2C7H8S2.Ni/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-5-2-3-6(8)7(9)4-5;/h5-16H2,1-4H3;2*2-4,8-9H,1H3;/q+1;;;+3/p-4
    InChI Key
    OGDOOYYRRAJVOI-UHFFFAOYSA-J
    Application
    Tetrabutylammonium Bis(4-methyl-1,2-benzenedithiolato)nickelate, ≥98%, serves multiple crucial roles in various chemical processes. This compound is primarily used as a catalyst in the hydrogen-evolution reaction when combined with trifluoroacetic acid. It also functions as an initiator in the polymerization of phenylacetylene. Additionally, it acts as an electromediator, facilitating the conversion of hydrogen sulfide and alkyl sulfides into radical cations, with potential applications in the synthesis of dyes and metabolites.
    Complexity
    332
    Covalently-Bonded Unit Count
    4
    Exact Mass
    608.202302g/mol
    Formal Charge
    0
    Heavy Atom Count
    36
    Monoisotopic Mass
    608.202302g/mol
    Rotatable Bond Count
    12
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