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    CAS 5909-24-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5909-24-0, Ethyl 4-chloro-2-(methylthio)pyrimidine-5-carboxylate, Ethyl 4-chloro-2-methylthiopyrimidine-5-carboxylate, 4-chloro-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester, Ethyl 4-chloro-2-(methylsulfanyl)pyrimidine-5-carboxylate, 2-methylthio-4-chloro-5-ethoxycarbonylpyrimidine
    Molecular Formula
    C8H9ClN2O2S
    Molecular Weight
    232.69  g/mol
    InChI Key
    SNNHLSHDDGJVDM-UHFFFAOYSA-N
    FDA UNII
    3EZY6B6CLY
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate
    2.1.2 InChI
    InChI=1S/C8H9ClN2O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3
    2.1.3 InChI Key
    SNNHLSHDDGJVDM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=CN=C(N=C1Cl)SC
    2.2 Other Identifiers
    2.2.1 UNII
    3EZY6B6CLY
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-chloro-2-(methylthio)pyrimidine-5-carboxylic Acid Ethyl Ester

    2. Ethyl 4-chloro-mpc

    2.3.2 Depositor-Supplied Synonyms

    1. 5909-24-0

    2. Ethyl 4-chloro-2-(methylthio)pyrimidine-5-carboxylate

    3. Ethyl 4-chloro-2-methylthiopyrimidine-5-carboxylate

    4. 4-chloro-2-methylsulfanyl-pyrimidine-5-carboxylic Acid Ethyl Ester

    5. Ethyl 4-chloro-2-(methylsulfanyl)pyrimidine-5-carboxylate

    6. 2-methylthio-4-chloro-5-ethoxycarbonylpyrimidine

    7. Ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate

    8. 4-chloro-5-carbethoxy-2-methylthiopyrimidine

    9. 5-pyrimidinecarboxylic Acid, 4-chloro-2-(methylthio)-, Ethyl Ester

    10. 3ezy6b6cly

    11. 4-chloro-2-methylsulfanylpyrimidine-5-carboxylic Acid Ethyl Ester

    12. Mfcd00006085

    13. Ethyl 4-chloro-2-(methylthio)-5-pyrimidinecarboxylate

    14. Nsc-123534

    15. 4-chloro-2-(methylthio)pyrimidine-5-carboxylic Acid Ethyl Ester

    16. 4-chloro-5-ethoxycarbonyl-2-methylthiopyrimidine

    17. Ethyl 4-chloro-2-methylthio-5-pyrimidine Carboxylate

    18. Ethyl 4-chloro-2-methylthio-5-pyrimidine-carboxylate

    19. Ethyl-4-chloro-2-methylthio-5-pyrimidine Carboxylate

    20. Ethyl 4-chloro-2-methylsulfanyl-5-pyrimidinecarboxylate

    21. C8h9cln2o2s

    22. Einecs 227-619-0

    23. Nsc123534

    24. Unii-3ezy6b6cly

    25. Schembl188686

    26. Ethyl 4-chloro-2-methylsulfanyl-pyrimidine-5-carboxylate

    27. Dtxsid20207832

    28. Zinc119543

    29. Bcp00790

    30. Cs-m1026

    31. Geo-01330

    32. Stk727415

    33. Akos003106956

    34. 6n-537s

    35. Ac-2398

    36. Nsc 123534

    37. Pb21605

    38. Sb10541

    39. Ac-26681

    40. Sy013568

    41. Db-010273

    42. A9818

    43. Am20100437

    44. E0841

    45. Ft-0626076

    46. Ft-0646364

    47. 5-ethoxycarbonyl-4-chloro-2-methylthiopyrimidine

    48. 4-chloro-5-ethoxycarbonyl-2-methylthio-pyrimidine

    49. 909e240

    50. 4-chloro-2-methylthio-5-carbethoxypyrimidine

    51. Ethyl 4-chloro-2-methylthiopyrimidine 5-carboxylate

    52. Ethyl-4-chloro-2-methylthio-5-pyrimidinecarboxylate

    53. J-520986

    54. W-105345

    55. W-203215

    56. Ethyl 4-chloro-2(methylthio)pyrimidine-5-carboxylate

    57. Ethyl 4-chloro-2-(methylthio)pyrimidin-5-carboxylate

    58. Ethyl-4-chloro-2-methylthio-5-pyrimidine-carboxylate

    59. Ethyl 4-chloro-2-(methylthio)-pyrimidine-5-carboxylate

    60. Ethyl 4-chloro-2-(methylthio)pyrimidine -5-carboxylate

    61. Ethyl 4-chloro-2-(methylthio)pyrimidine-5-carb Oxylate

    62. 4-chloro-2-methylthio-5-pyrimidinecarboxylate Ethyl Ester

    63. Ethyl 4-chloro-2-(methylsulfanyl)-5-pyrimidinecarboxylate

    64. Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate, 98%

    65. 2-methylthio-4-chloropyrimidine-5-carboxylic Acid Ethyl Ester

    66. 4-chloro-2-methylsulfanyl-5-pyrimidinecarboxylate Ethyl Ester

    67. 4-chloro-2-methylthio-5-pyrimidine Carboxylic Acid Ethyl Ester

    68. 4-chloro-2-methylthio-5-pyrimidinecarboxylic Acid Ethyl Ester

    69. Ethyl 4-chloro-2-(methylsulfanyl)-5-pyrimidinecarboxylate #

    70. 4-chloro-2-(methylsulfanyl)pyrimidine-5-carboxylic Acid Ethyl Ester

    71. 4-chloro-2-(methylthio)-5-pyrimidinecarboxylic Acid Ethyl Ester

    72. 4-chloro-2-methane-sulfanylpyrimidine-5-carboxylic Acid Ethyl Ester

    73. 4-chloro-2-methanesulfanylpyrimidine-5-carboxylic Acid Ethyl Ester

    74. Ethyl 4-chloro-2-(methylmercapto)pyrimidine-5-carboxylate

    75. 4-chloro-2-methanethiopyrimidine-5-carboxylic Acid Ethyl Ester

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 232.69 g/mol
    Molecular Formula C8H9ClN2O2S
    XLogP32.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass232.0073264 g/mol
    Monoisotopic Mass232.0073264 g/mol
    Topological Polar Surface Area77.4 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity206
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1