CAS 5909-24-0

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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

CAS 5909-24-0

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 Formula	C₈H₉ClN₂O₂S
Molecular Weight	232.69 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	232.0073264 g/mol
Monoisotopic Mass	232.0073264 g/mol
Topological Polar Surface Area	77.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	206
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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