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    CAS 1918-77-0

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 1918-77-0, 2-thienylacetic acid, 2-(thiophen-2-yl)acetic acid, Thiopheneacetic acid, Thiophene-2-acetic acid, 2-(2-thienyl)acetic acid
    Molecular Formula
    C6H6O2S
    Molecular Weight
    142.18  g/mol
    InChI Key
    SMJRBWINMFUUDS-UHFFFAOYSA-N
    FDA UNII
    A8S4F49X7A
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-thiophen-2-ylacetic acid
    2.1.2 InChI
    InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)
    2.1.3 InChI Key
    SMJRBWINMFUUDS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CSC(=C1)CC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    A8S4F49X7A
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-thienylacetic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 1918-77-0

    2. 2-thienylacetic Acid

    3. 2-(thiophen-2-yl)acetic Acid

    4. Thiopheneacetic Acid

    5. Thiophene-2-acetic Acid

    6. 2-(2-thienyl)acetic Acid

    7. 2-thiophen-2-ylacetic Acid

    8. Thiophen-2-ylacetic Acid

    9. Mfcd00005458

    10. (thien-2-yl)acetic Acid

    11. A8s4f49x7a

    12. Chebi:45807

    13. 2-thiophene Acetic Acid

    14. Thienylactic Acid

    15. Thienylacetic Acid

    16. 2-thiopheneacetic

    17. Thiol Acetic Acid

    18. 1ajq

    19. Einecs 217-639-8

    20. Thiophene Acetic Acid

    21. 2-thienyl-acetic Acid

    22. 2-carboxymethylthiofuran

    23. 2-thiophenyl Acetic Acid

    24. (thien-2-yl)acetic Aci

    25. Thiophen-2-yl Acetic Acid

    26. Thiophen-2-yl-acetic Acid

    27. Epitope Id:116203

    28. Unii-a8s4f49x7a

    29. 2-(2-thienyl) Acetic Acid

    30. 2-(thiophen-2-yl)aceticacid

    31. Bidd:gt0423

    32. Schembl621289

    33. 2-thiopheneacetic Acid, 98%

    34. Thiophen-2-acetic Acid

    35. Dtxsid5062059

    36. Zinc157069

    37. Bcp30947

    38. Stl164313

    39. Akos000118998

    40. Cs-w001142

    41. Pb27359

    42. Ps-5326

    43. 69492-74-6

    44. Db-044778

    45. Am20090121

    46. Ft-0633911

    47. T0217

    48. 18t770

    49. C02595

    50. P10011

    51. Q-100229

    52. Q27104558

    53. F2191-0032

    54. 2-thienylacetic Acid;2-(thiophen-2-yl)acetic Acid;thiopheneacetic Acid

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 142.18 g/mol
    Molecular Formula C6H6O2S
    XLogP31
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass142.00885060 g/mol
    Monoisotopic Mass142.00885060 g/mol
    Topological Polar Surface Area65.5 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity114
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1