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    CAS 84449-65-0
    Also known as: 84449-65-0, [4-(6-methylsulfonyloxy-1-benzothiophen-2-yl)phenyl] methanesulfonate, 4-(6-(methylsulfonyloxy)benzo[b]thiophen-2-yl)phenyl methanesulfonate, 2-[4-[(methylsulfonyl)oxy]phenyl]-benzo[b]thiophene-6-ol 6-methanesulfonate, 4-(6-methylsulfonyloxybenzothiophen-2-yl)phenyl methanesulfonate, 4-(6-(methylsulfonyloxy)benzo(b)thiophen-2-yl)phenyl methanesulfonate
    Molecular Formula
    C16H14O6S3
    Molecular Weight
    398.5  g/mol
    InChI Key
    OPKQAMCWGICRGH-UHFFFAOYSA-N
    1 2D Structure

    CAS 84449-65-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [4-(6-methylsulfonyloxy-1-benzothiophen-2-yl)phenyl] methanesulfonate
    2.1.2 InChI
    InChI=1S/C16H14O6S3/c1-24(17,18)21-13-6-3-11(4-7-13)15-9-12-5-8-14(10-16(12)23-15)22-25(2,19)20/h3-10H,1-2H3
    2.1.3 InChI Key
    OPKQAMCWGICRGH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)OC1=CC=C(C=C1)C2=CC3=C(S2)C=C(C=C3)OS(=O)(=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 84449-65-0

    2. [4-(6-methylsulfonyloxy-1-benzothiophen-2-yl)phenyl] Methanesulfonate

    3. 4-(6-(methylsulfonyloxy)benzo[b]thiophen-2-yl)phenyl Methanesulfonate

    4. 2-[4-[(methylsulfonyl)oxy]phenyl]-benzo[b]thiophene-6-ol 6-methanesulfonate

    5. 4-(6-methylsulfonyloxybenzothiophen-2-yl)phenyl Methanesulfonate

    6. 4-(6-(methylsulfonyloxy)benzo(b)thiophen-2-yl)phenyl Methanesulfonate

    7. Raloxifene Impurity 3

    8. Ec 806-588-2

    9. Schembl6837014

    10. Dtxsid50534769

    11. 4-(6-((methylsulfonyl)oxy)benzo[b]thiophen-2-yl)phenylmethanesulfonate

    12. Mfcd16620994

    13. Zinc39473703

    14. 4-{6-[(methanesulfonyl)oxy]-1-benzothiophen-2-yl}phenyl Methanesulfonate

    15. Ds-3708

    16. Cs-0210889

    17. Ft-0727819

    18. F16084

    19. A916151

    20. 2-(4-hydroxyphenyl)benzo[b]thiophen-6-ol Bimesylate

    21. 6-methanesulfonyloxy-2-(4-methanesulfonyloxyphenyl)benzo[b]thiophene

    22. 2-[4-[methylsulfonyloxy]phenyl]-benzo[b]thiophene-6-ol 6-methanesulfonate

    23. 6-methanesulfonyloxy-2-(4-methanesulfonyloxyphenyl)-benzo[b]thiophene

    24. Methanesulfonic Acid 2-[4-(methylsulfonyloxy)phenyl]benzo[b]thiophene-6-yl Ester

    25. 2-[4-[(methylsulfonyl)oxy]phenyl]benzo[b]thien-6-yl Methanesulfonate; 2-[4-[(methylsulfonyl)oxy]phenyl]-benzo[b]thiophene-6-ol Methanesulfonate; 4-(6-((methylsulfonyl)oxy)benzo[b]thiophen-2-yl)phenyl Methanesulfonate

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 398.5 g/mol
    Molecular Formula C16H14O6S3
    XLogP33.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass397.99525168 g/mol
    Monoisotopic Mass397.99525168 g/mol
    Topological Polar Surface Area132 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity655
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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      Medilux Laboratories has been providing quality back-end support to the pharmaceutical industry at large since our inception in 1988. Our resources are dedicated to promoting better health through products that offer superior value. Located at Pithampur, Madhya Pradesh, Medilux Laboratories has been committed to strategic research, delivering a complex range of chemistries that are globally benchmarked. Our products and services are rapidly making strides in the global pharmaceutical space, giving us the impetus to constantly strive for excellence in addition to providing quality customer service. Supported by a workforce of over 150 dedicate
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        Medilux Laboratories has been providing quality back-end support to the pharmaceutical industry at large ...
        Medilux Laboratories has been providing quality back-end support to the pharmaceutical industry at large since our inception in 1988. Our resources are dedicated to promoting better health through products that offer superior value. Located at Pithampur, Madhya Pradesh, Medilux Laboratories has been committed to strategic research, delivering a complex range of chemistries that are globally benchmarked. Our products and services are rapidly making strides in the global pharmaceutical space, giving us the impetus to constantly strive for excellence in addition to providing quality customer service. Supported by a workforce of over 150 dedicate
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          Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as ...
          Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as well Global market as a reliable partner. We are very much concern with the Quality of our Product, Services, Employee as well the social belonging. Our main strength is our People, who are highly motivated and reflect a perfect blend of Zeal and Commitment. We are committed to satisfy the needs of the customer and Proactive with the solutions of extended needs of the Customer. We are in the serve of Nation over a Decade and renowned by receiving an Award of Udyog Patra in year 2005.
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            SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) f...
            SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) for Pharmaceutical, Cosmetic and Fine Chemical Industry. SLN Pharmachem is an ISO certified and has its manufacturing unit backed up by professionals who are desirous in manufacturing new, difficult to produce molecules with success to achieve the best quality standards in the international competition.
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