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    BUILDING BLOCK

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    Chemistry

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    Also known as: 120279-85-8, 5,6-dihydro-4h-6-methylthieno[2,3-b]thiopyran-4-one, 6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one, 5,6-dihydro-6-methyl-4h-thieno[2,3-b]thiopyran-4-one, 6-methyl-4h,5h,6h-thieno[2,3-b]thiopyran-4-one, 6-methyl-5,6-dihydro-4h-thieno-[2,3-b]thiopyran-4-one
    Molecular Formula
    C8H8OS2
    Molecular Weight
    184.3  g/mol
    InChI Key
    FLJFMDYYNMNASJ-UHFFFAOYSA-N
    CAS 120279-85-8
    1 2D Structure

    CAS 120279-85-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one
    2.1.2 InChI
    InChI=1S/C8H8OS2/c1-5-4-7(9)6-2-3-10-8(6)11-5/h2-3,5H,4H2,1H3
    2.1.3 InChI Key
    FLJFMDYYNMNASJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1CC(=O)C2=C(S1)SC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 120279-85-8

    2. 5,6-dihydro-4h-6-methylthieno[2,3-b]thiopyran-4-one

    3. 6-methyl-5,6-dihydrothieno[2,3-b]thiopyran-4-one

    4. 5,6-dihydro-6-methyl-4h-thieno[2,3-b]thiopyran-4-one

    5. 6-methyl-4h,5h,6h-thieno[2,3-b]thiopyran-4-one

    6. 6-methyl-5,6-dihydro-4h-thieno-[2,3-b]thiopyran-4-one

    7. N-caprylicanhydride

    8. Schembl3349385

    9. Dtxsid401217997

    10. Akos006286730

    11. Am84430

    12. Sb45269

    13. Cs-0442363

    14. Ft-0657652

    15. En300-295660

    16. A808598

    17. Q-100100

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 184.3 g/mol
    Molecular Formula C8H8OS2
    XLogP32.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area70.6
    Heavy Atom Count11
    Formal Charge0
    Complexity181
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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