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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 2109226-54-0, 3-methanesulfonyl-3-methylbut-1-yne, 3-methyl-3-methylsulfonyl-but-1-yne, 3-methyl-3-methylsulfonylbut-1-yne, 3-methyl-3-(methylsulfonyl)-1-butyne, Mfcd32840678
    Molecular Formula
    C6H10O2S
    Molecular Weight
    146.21  g/mol
    InChI Key
    TVWUIROEZGTISF-UHFFFAOYSA-N
    CAS No 14241469
    1 2D Structure

    CAS No 14241469

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-methyl-3-methylsulfonylbut-1-yne
    2.1.2 InChI
    InChI=1S/C6H10O2S/c1-5-6(2,3)9(4,7)8/h1H,2-4H3
    2.1.3 InChI Key
    TVWUIROEZGTISF-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2109226-54-0

    2. 3-methanesulfonyl-3-methylbut-1-yne

    3. 3-methyl-3-methylsulfonyl-but-1-yne

    4. 3-methyl-3-methylsulfonylbut-1-yne

    5. 3-methyl-3-(methylsulfonyl)-1-butyne

    6. Mfcd32840678

    7. Schembl14351697

    8. Akos040766062

    9. At19835

    10. Pb48874

    11. Ps-16614

    12. Cs-0147011

    13. En300-27183154

    14. Z3685973272

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 146.21 g/mol
    Molecular Formula C6H10O2S
    XLogP30.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area42.5
    Heavy Atom Count9
    Formal Charge0
    Complexity232
    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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