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    Technical details about 4066-41-5, learn more about the structure, uses, toxicity, action, side effects and more

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    4066-41-5

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 4066-41-5, 5-acetyl-2-thiophenecarboxylic acid, 2-thiophenecarboxylic acid, 5-acetyl-, 5-acetyl-thiophene-2-carboxylic acid, Mfcd00055512, 5-carboxy-2-acetylthiophene
    Molecular Formula
    C7H6O3S
    Molecular Weight
    170.19  g/mol
    InChI Key
    LIKIMWYKJUFVJP-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-acetylthiophene-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C7H6O3S/c1-4(8)5-2-3-6(11-5)7(9)10/h2-3H,1H3,(H,9,10)
    2.1.3 InChI Key
    LIKIMWYKJUFVJP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=CC=C(S1)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 4066-41-5

    2. 5-acetyl-2-thiophenecarboxylic Acid

    3. 2-thiophenecarboxylic Acid, 5-acetyl-

    4. 5-acetyl-thiophene-2-carboxylic Acid

    5. Mfcd00055512

    6. 5-carboxy-2-acetylthiophene

    7. 5-acetylthiophene-2-carboxylicacid

    8. 5-acetyl-2-thenoic Acid

    9. Schembl593258

    10. Dtxsid90395811

    11. Likimwykjufvjp-uhfffaoysa-n

    12. Cs-b1379

    13. Str05216

    14. 5-acetyl-thiophen-2-carboxylic Acid

    15. Am9902

    16. Fd7379

    17. 5-acetyl Thiophene-2-carboxylic Acid

    18. 5-acetyl-2-thiophene-carboxylic Acid

    19. Akos001138527

    20. Ps-5005

    21. Sb67081

    22. Ncgc00329121-01

    23. Sy050152

    24. Ft-0619932

    25. En300-14656

    26. 5-acetyl-2-thiophenecarboxylic Acid, Aldrichcpr

    27. Ab01323246-02

    28. W-202671

    29. F0001-1150

    30. Z104378254

    2.3 Create Date
    2005-09-10
    3 Chemical and Physical Properties
    Molecular Weight 170.19 g/mol
    Molecular Formula C7H6O3S
    XLogP31.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area82.6
    Heavy Atom Count11
    Formal Charge0
    Complexity190
    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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