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    BUILDING BLOCK

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    Chemistry

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    Also known as: Schembl1252785, Aieulovgriajcy-uhfffaoysa-n, 852291-42-0, Db-192410, 2-bromo-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine p-toluenesulfonate
    Molecular Formula
    C14H17BrN2O3S2
    Molecular Weight
    405.3  g/mol
    InChI Key
    AIEULOVGRIAJCY-UHFFFAOYSA-N
    CAS 852291-42-0
    1 2D Structure

    CAS 852291-42-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-bromo-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-methylbenzenesulfonic acid
    2.1.2 InChI
    InChI=1S/C7H9BrN2S.C7H8O3S/c1-10-3-2-5-6(4-10)11-7(8)9-5;1-6-2-4-7(5-3-6)11(8,9)10/h2-4H2,1H3;2-5H,1H3,(H,8,9,10)
    2.1.3 InChI Key
    AIEULOVGRIAJCY-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl1252785

    2. Aieulovgriajcy-uhfffaoysa-n

    3. 852291-42-0

    4. Db-192410

    5. 2-bromo-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine P-toluenesulfonate

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 405.3 g/mol
    Molecular Formula C14H17BrN2O3S2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area107
    Heavy Atom Count22
    Formal Charge0
    Complexity362
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    BUILDING BLOCK

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