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    CAS 40412-06-4
    Also known as: 40412-06-4, 2-(thiophen-2-yl)ethyl 4-methylbenzenesulfonate, 2-(2-thienyl)ethyl 4-methylbenzenesulfonate, 2-thiopheneethanol tosylate, 2-thiophen-2-ylethyl 4-methylbenzenesulfonate, Dkb7rkl3u8
    Molecular Formula
    C13H14O3S2
    Molecular Weight
    282.4  g/mol
    InChI Key
    HLPRKWVEMYDPAU-UHFFFAOYSA-N
    FDA UNII
    DKB7RKL3U8
    1 2D Structure

    CAS 40412-06-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-thiophen-2-ylethyl 4-methylbenzenesulfonate
    2.1.2 InChI
    InChI=1S/C13H14O3S2/c1-11-4-6-13(7-5-11)18(14,15)16-9-8-12-3-2-10-17-12/h2-7,10H,8-9H2,1H3
    2.1.3 InChI Key
    HLPRKWVEMYDPAU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CS2
    2.2 Other Identifiers
    2.2.1 UNII
    DKB7RKL3U8
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 40412-06-4

    2. 2-(thiophen-2-yl)ethyl 4-methylbenzenesulfonate

    3. 2-(2-thienyl)ethyl 4-methylbenzenesulfonate

    4. 2-thiopheneethanol Tosylate

    5. 2-thiophen-2-ylethyl 4-methylbenzenesulfonate

    6. Dkb7rkl3u8

    7. 2-(2-thienyl)ethyl Toluene-p-sulfonate

    8. P-toluenesulfonic Acid 2-(2-thienyl)ethyl Ester

    9. Einecs 254-911-5

    10. 2-thiopheneethanol, 2-(4-methylbenzenesulfonate)

    11. Toluene-4-sulfonic Acid 2-thiophen-2-yl-ethyl Ester

    12. Unii-dkb7rkl3u8

    13. 2-thiopheneethanol 2-(4-methylbenzenesulfonate)

    14. Schembl1418052

    15. Dtxsid80193429

    16. Amy38861

    17. Bcp22702

    18. Cs-m1300

    19. Zinc2541800

    20. Mfcd05150366

    21. Akos015998847

    22. 2-(2-thienyl)ethyl P-toluenesulfonate

    23. 2-(2-thienyl)ethyl-4-toluene Sulfonate

    24. 2-thienylethyl P-toluenesulfonate

    25. 2-(2-thienyl)ethyl Paratoluene Sulfonate

    26. Ac-23325

    27. As-17867

    28. 2-(2-thienyl)-ethyl Para-toluenesulfonate

    29. 2-(2-thienyl)-ethyl Paratoluene Sulfonate

    30. 2-[2-(4-toluenesulfonyloxy)ethyl]thiophene

    31. Db-014097

    32. 2-thiopheneethanol, 4-methylbenzenesulfonate

    33. Ft-0659609

    34. T3064

    35. [2-(2-thienyl)ethyl] 4-methylbenzenesulfonate

    36. 2-(thiophen-2-yl)ethyl4-methylbenzenesulfonate

    37. A25004

    38. H10887

    39. 412t064

    40. W-110931

    41. 4-methylbenzenesulfonic Acid 2-(2-thienyl)ethyl Ester;2-(2-thienyl)ethyl 4-methylbenzenesulfonate;2-thiopheneethanol Tosylate;2-(thiophen-2-yl)ethyl 4-methylbenzenesulfonate;2-(2-thienyl)ethyl 4-methylbenzenesulfonate

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 282.4 g/mol
    Molecular Formula C13H14O3S2
    XLogP33.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass282.03843665 g/mol
    Monoisotopic Mass282.03843665 g/mol
    Topological Polar Surface Area80 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity340
    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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                                Clopidogrel
                                VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 i...
                                VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 in 1994-95 at Hyderabad in the state of Telangana, India. The company is engaged in the manufacturing of Active Pharmaceutical Ingredients (APIs), Pharma Intermediates for catering to the Global market. Initially, the focus was on the development of cost effective processes for several intermediates related to piperidone & piperidine derivatives. By 2003-04, the company gained world class expertise and became the largest manufacturer of piperidone & piperidine derivatives in the world.
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                                euroapi-m-2024-05-06

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