CAS 39098-97-0

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Also known as: 39098-97-0, 2-(thiophen-2-yl)acetyl chloride, 2-thienylacetyl chloride, 2-thiophene acetyl chloride, Thiophene-2-acetyl chloride, 2-(2-thienyl)acetyl chloride

Molecular Formula

C₆H₅ClOS

Molecular Weight

160.62 g/mol

InChI Key

AJYXPNIENRLELY-UHFFFAOYSA-N

FDA UNII

3VR2Y6J8UG

1 2D Structure

CAS 39098-97-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-thiophen-2-ylacetyl chloride

2.1.2 InChI

InChI=1S/C6H5ClOS/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2

2.1.3 InChI Key

AJYXPNIENRLELY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CSC(=C1)CC(=O)Cl

2.2 Other Identifiers

2.2.1 UNII

3VR2Y6J8UG

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 39098-97-0

2. 2-(thiophen-2-yl)acetyl Chloride

3. 2-thienylacetyl Chloride

4. 2-thiophene Acetyl Chloride

5. Thiophene-2-acetyl Chloride

6. 2-(2-thienyl)acetyl Chloride

7. 2-thiophen-2-ylacetyl Chloride

8. Thiopheneacetyl Chloride

9. 2-thiopheneacetylchloride

10. Thienylacetyl Chloride

11. Thien-2-ylacetyl Chloride

12. 3vr2y6j8ug

13. Thiophen-2-yl-acetyl Chloride

14. Mfcd00005456

15. Thiophen-2-ylacetyl Chloride

16. Thienylacetylchloride

17. Einecs 254-290-0

18. Thienyl Acetyl Chloride

19. Thiophene Acetyl Chloride

20. 2-thiophenacetyl Chloride

21. Thiophene-2-acetylchlorid

22. 2-thienyl Acetyl Chloride

23. Thiophene-2-acetylchloride

24. 2-thiophenylacetyl Chloride

25. Unii-3vr2y6j8ug

26. (2-thienyl)acetyl Chloride

27. Thien-2-yl-acetyl Chloride

28. (thien-2-yl)acetyl Chlorid

29. Schembl42105

30. 2-thienylacetic Acid Chloride

31. (thien-2-yl)-acetyl Chloride

32. 2-thienyl Acetic Acid Chloride

33. 2-(2-thienyl)ethanoyl Chloride

34. Dtxsid5068156

35. 2-thiopheneacetyl Chloride, 98%

36. Bcp30941

37. Zinc2141010

38. 2-(2-thienyl)-acetic Acid Chloride

39. Bbl027527

40. Stk802615

41. Akos000268646

42. 2-(thiophen-2-yl)acetic Acid Chloride

43. Cs-w016145

44. Gs-6669

45. Bp-21429

46. Db-049373

47. Am20100031

48. Ft-0639525

49. T1751

50. D78176

51. 2-heptyl-1,3-dioxalaneoctanalglycolacetal

52. A824405

53. Sr-01000944734

54. 2-thienylacetyl Chloride;thiophene-2-acetyl Chloride

55. Q-100454

56. Sr-01000944734-1

57. 2-(2-thienyl)acetyl Chloride;2-thiopheneacetyl Chloride

58. F2190-0117

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₆H₅ClOS
Molecular Weight	160.62 g/mol
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	159.9749636 g/mol
Monoisotopic Mass	159.9749636 g/mol
Topological Polar Surface Area	45.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	116
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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