CAS 88-15-3

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27 Related Intermediates

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Also known as: 88-15-3, 1-thiophen-2-yl-ethanone, 1-(2-thienyl)ethanone, 2-acetothiophene, 2-acetothienone, Methyl 2-thienyl ketone

Molecular Formula

C₆H₆OS

Molecular Weight

126.18 g/mol

InChI Key

WYJOVVXUZNRJQY-UHFFFAOYSA-N

FDA UNII

5ASO208T20

2-acetylthiophene is a metabolite found in or produced by Saccharomyces cerevisiae.

1 2D Structure

CAS 88-15-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-thiophen-2-ylethanone

2.1.2 InChI

InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3

2.1.3 InChI Key

WYJOVVXUZNRJQY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=CC=CS1

2.2 Other Identifiers

2.2.1 UNII

5ASO208T20

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 88-15-3

2. 1-thiophen-2-yl-ethanone

3. 1-(2-thienyl)ethanone

4. 2-acetothiophene

5. 2-acetothienone

6. Methyl 2-thienyl Ketone

7. Ethanone, 1-(2-thienyl)-

8. 1-(thiophen-2-yl)ethanone

9. 2-acetyl Thiophene

10. 2-thienyl Methyl Ketone

11. Ketone, Methyl 2-thienyl

12. 1-thiophen-2-ylethanone

13. Alpha-acetylthiophene

14. 2-acethylthiophene

15. 1-(2-thienyl)-ethanone

16. 1-(thiophen-2-yl)ethan-1-one

17. Methyl-2-thienyl Ketone

18. 2-acetylthiophen

19. Nsc 2345

20. Thiophene,2-acetyl

21. Chembl401911

22. 97511-16-5

23. 5aso208t20

24. Nsc-2345

25. 2-aceto Thiophene

26. Einecs 201-804-6

27. Brn 0107910

28. 2acetylthiophene

29. Acetyl-thiophene

30. 2-acetylthiole

31. Ai3-08491

32. 2-acetyl-thiophene

33. Mfcd00005442

34. Acetylthiophene

35. 2-acetylthiophene, 98%

36. Schembl3798

37. Wln: T5sj Bv1

38. 2-(acetyl)thiofuran

39. 5-17-09-00387 (beilstein Handbook Reference)

40. Bidd:gt0210

41. Unii-5aso208t20

42. 1-(2-thienyl)ethanone, 9ci

43. Dtxsid2058960

44. Nsc2345

45. Chebi:179841

46. 2-acetylthiophene, >=98%, Fg

47. Zinc157402

48. Bcp24442

49. Str01324

50. Bdbm50376211

51. Stl183822

52. 2-acetylthiophene, Analytical Standard

53. Akos000119817

54. Ac-4918

55. Am82005

56. Cs-w020047

57. Ps-3261

58. Db-038374

59. 5-acetyl-1-thia-1,3-cyclopentadiene-1-ium

60. A0724

61. Ft-0610986

62. Ft-0689587

63. W18336

64. A842486

65. Q-100875

66. Q27261757

67. Z57127896

68. F0001-2186

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₆OS
Molecular Weight	126.18 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	126.01393598 g/mol
Monoisotopic Mass	126.01393598 g/mol
Topological Polar Surface Area	45.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	101
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