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  • 2-Phenylbenzothiazole

    • 2-Phenylbenzothiazole

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    Catalog Number
    ACM883932-1
    Product Name
    2-Phenylbenzothiazole
    Structure
    CAS
    883-93-2
    Category
    Ligands for Functional Metal Complexes
    Synonyms
    2-Phenyl-1,3-benzothiazole
    IUPAC Name
    2-phenyl-1,3-benzothiazole
    Molecular Weight
    211.28
    Molecular Formula
    C13H9NS
    Canonical SMILES
    C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2
    InChI
    XBHOUXSGHYZCNH-UHFFFAOYSA-N
    InChI Key
    InChI=1S/C13H9NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
    Boiling Point
    371 °C
    Melting Point
    111-113 °C -lit.
    Appearance
    Grey needle-like crystals
    Storage
    Store below +30°C.
    Complexity
    213
    Covalently-Bonded Unit Count
    1
    EC Number
    212-935-3
    Exact Mass
    211.04557046
    Heavy Atom Count
    15
    Hydrogen Bond Acceptor Count
    2
    Hydrogen Bond Donor Count
    0
    Monoisotopic Mass
    211.04557046
    NSC Number
    2034
    Rotatable Bond Count
    1
    Topological Polar Surface Area
    41.1 Ų
    UNII
    FO573G4BGT
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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