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    CAS 147128-77-6

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    CAS 147128-77-6
    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, Mfcd11035925, 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

    CAS 147128-77-6

    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. Mfcd11035925

    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. Starbld0019669

    9. Schembl3303040

    10. (4r,6r)-6-methyl-5,6-dihydro-4h-thieno-[2,3-b]thiopyran-4-ol 7,7-dioxide

    11. Dtxsid001140774

    12. Bcp11382

    13. Ac7560

    14. (4r,6s)-5,6-dihydro-6-methyl-4h-thieno[2,3-b]thiopyran-4-ol 7,7-dioxide

    15. Akos015899998

    16. Ac-5301

    17. As-31477

    18. Cs-0162281

    19. En300-214834

    20. J-501486

    21. (2s,4r)-4-hydroxy-2-methyl-2h,3h,4h-1lambda6-thieno[2,3-b]thiopyran-1,1-dione

    22. (4r)-5,6-dihydro-4-hydroxy-6alpha-methyl-4h-thieno[2,3-b]thiopyran 7,7-dioxide

    23. 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 Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area91
    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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