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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 17452-74-3, 5-methyl-2h-1,3,4-oxathiazol-2-one, 5-methyl-1,3,4-oxathiazole-2-one, Schembl3431323, Kkgfugwqxuymex-uhfffaoysa-n, 5-methyl-[1,3,4]oxathiazol-2-one
    Molecular Formula
    C3H3NO2S
    Molecular Weight
    117.13  g/mol
    InChI Key
    KKGFUGWQXUYMEX-UHFFFAOYSA-N
    CAS 17452-74-3
    1 2D Structure

    CAS 17452-74-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-methyl-1,3,4-oxathiazol-2-one
    2.1.2 InChI
    InChI=1S/C3H3NO2S/c1-2-4-7-3(5)6-2/h1H3
    2.1.3 InChI Key
    KKGFUGWQXUYMEX-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 17452-74-3

    2. 5-methyl-2h-1,3,4-oxathiazol-2-one

    3. 5-methyl-1,3,4-oxathiazole-2-one

    4. Schembl3431323

    5. Kkgfugwqxuymex-uhfffaoysa-n

    6. 5-methyl-[1,3,4]oxathiazol-2-one

    7. Da-17844

    8. En300-124787

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 117.13 g/mol
    Molecular Formula C3H3NO2S
    XLogP30.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area64
    Heavy Atom Count7
    Formal Charge0
    Complexity131
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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