CAS 24065-33-6

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19 End Use APIs
146 Related Intermediates

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Chemistry

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Also known as: 24065-33-6, 5-chloro-2-thiophenecarboxylic acid, 2-thiophenecarboxylic acid, 5-chloro-, Mfcd00041426, Xv5src3pj3, 5-chloro thiophene-2-carboxylic acid

Molecular Formula

C₅H₃ClO₂S

Molecular Weight

162.59 g/mol

InChI Key

QZLSBOVWPHXCLT-UHFFFAOYSA-N

FDA UNII

XV5SRC3PJ3

1 2D Structure

CAS 24065-33-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-chlorothiophene-2-carboxylic acid

2.1.2 InChI

InChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)

2.1.3 InChI Key

QZLSBOVWPHXCLT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(SC(=C1)Cl)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

XV5SRC3PJ3

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 24065-33-6

2. 5-chloro-2-thiophenecarboxylic Acid

3. 2-thiophenecarboxylic Acid, 5-chloro-

4. Mfcd00041426

5. Xv5src3pj3

6. 5-chloro Thiophene-2-carboxylic Acid

7. Chembl4280438

8. 5-chloro-2-thiophene Carboxylic Acid

9. Nsc-14776

10. Nsc 14776

11. Brn 0118361

12. Ai3-61740

13. 5-chlorothiophene-2-carboxylicacid

14. Nsc14776

15. Rivaroxaban Impurity C

16. Maybridge3_003717

17. Unii-xv5src3pj3

18. Rivaroxaban Related Compound

19. Schembl77196

20. 5-18-06-00177 (beilstein Handbook Reference)

21. 5-chlorothiophenecarboxylic Acid

22. Rivaroxaban Ctca Impurity

23. Dtxsid10178800

24. 5-chloro-2-thiophenecarboxylicacid

25. Hms1441i21

26. Zinc125451

27. 5-chloro-2-thiophencarboxylic Acid

28. 5-chlorthiophene-2-carboxylic Acid

29. 2-chloro-5-carboxythiophene

30. 2-chloro-5-thiophenecarboxylic Acid

31. Act02298

32. Albb-000787

33. Bcp05839

34. Cs-m1254

35. Str03101

36. 5-chloro Thiophen-2-carboxylic Acid

37. 5-chloro-thiophen-2-carboxylic Acid

38. 5-chlorothiophene 2-carboxylic Acid

39. Bbl037515

40. Bdbm50467736

41. Geo-00807

42. Stk502364

43. 5-chloro-2-thiophene-carboxylic Acid

44. 5-chloranylthiophene-2-carboxylic Acid

45. Akos000278212

46. Fs-1378

47. Pb12047

48. Idi1_015104

49. Ac-25302

50. Sy001039

51. 5-chlorothiophen-2-carboxylic Acid

52. 5-chlorothiophene-2-carboxylic Acid, 97%

53. Db-013063

54. A4985

55. Am20090264

56. C1230

57. Ft-0620284

58. Rivaroxaban Impurity F [ep Impurity]

59. W-200249

60. F2182-0126

61. 5-chlorothiophene-2-carboxylic Acid; 2-chloro-5-carboxythiophene; 5-chloro-2-thenoic Acid

62. 9e9

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₃ClO₂S
Molecular Weight	162.59 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	161.9542282 g/mol
Monoisotopic Mass	161.9542282 g/mol
Topological Polar Surface Area	65.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	128
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