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    4S,6S-5, 6-Dihydro-4-Hydroxy-6-Methyl-4H-Thieno

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    2D Structure
    Also known as: 147128-77-6, (4r,6s)-5,6-dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxide, 162490-44-0, (4r,6s)-4-hydroxy-6-methyl-5,6-dihydro-4h-thieno[2,3-b]thiopyran 7,7-dioxide, 4h-thieno[2,3-b]thiopyran-4-ol, 5,6-dihydro-6-methyl-, 7,7-dioxide, (4r,6s)-, (4s,6s)-4h-thieno[2,3-b]-thiopyran-4-ol-5,6-dihydro-6-methyl-7,7-dioxide
    Molecular Formula
    C8H10O3S2
    Molecular Weight
    218.3  g/mol
    InChI Key
    NFUQUGUUAUVBMO-CAHLUQPWSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
    2.1.2 InChI
    InChI=1S/C8H10O3S2/c1-5-4-7(9)6-2-3-12-8(6)13(5,10)11/h2-3,5,7,9H,4H2,1H3/t5-,7+/m0/s1
    2.1.3 InChI Key
    NFUQUGUUAUVBMO-CAHLUQPWSA-N
    2.1.4 Canonical SMILES
    CC1CC(C2=C(S1(=O)=O)SC=C2)O
    2.1.5 Isomeric SMILES
    C[C@H]1C[C@H](C2=C(S1(=O)=O)SC=C2)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 147128-77-6

    2. (4r,6s)-5,6-dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxide

    3. 162490-44-0

    4. (4r,6s)-4-hydroxy-6-methyl-5,6-dihydro-4h-thieno[2,3-b]thiopyran 7,7-dioxide

    5. 4h-thieno[2,3-b]thiopyran-4-ol, 5,6-dihydro-6-methyl-, 7,7-dioxide, (4r,6s)-

    6. (4s,6s)-4h-thieno[2,3-b]-thiopyran-4-ol-5,6-dihydro-6-methyl-7,7-dioxide

    7. Cis-4-hydroxy-6-methyl-5,6-dihydro-4h-thieno[2,3-b]thiopyran 7,7-dioxide

    8. Mfcd11035925

    9. Starbld0019669

    10. Schembl3303040

    11. (4r,6r)-6-methyl-5,6-dihydro-4h-thieno-[2,3-b]thiopyran-4-ol 7,7-dioxide

    12. Dtxsid001140774

    13. Bcp11382

    14. Ac7560

    15. Zinc38339234

    16. (4r,6s)-5,6-dihydro-6-methyl-4h-thieno[2,3-b]thiopyran-4-ol 7,7-dioxide

    17. Akos015899998

    18. Ac-5301

    19. As-31477

    20. Cs-0162281

    21. 128d776

    22. J-501486

    23. (4r)-5,6-dihydro-4-hydroxy-6alpha-methyl-4h-thieno[2,3-b]thiopyran 7,7-dioxide

    24. 4-(r)-hydroxy-5,6-dihydro-6-(s)-methyl-4h-thieno[2,3 B]thiopyran-7,7-dioxide

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 218.3 g/mol
    Molecular Formula C8H10O3S2
    XLogP30.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass218.00713652 g/mol
    Monoisotopic Mass218.00713652 g/mol
    Topological Polar Surface Area91 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity293
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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