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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 30433-91-1, 2-thiopheneethylamine, 2-(thiophen-2-yl)ethanamine, 2-thien-2-ylethanamine, 2-thiopheneethanamine, 2-(thiophen-2-yl)ethan-1-amine

Molecular Formula

C₆H₉NS

Molecular Weight

127.21 g/mol

InChI Key

HVLUYXIJZLDNIS-UHFFFAOYSA-N

1 2D Structure

Thiophene-2-Ethylamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-thiophen-2-ylethanamine

2.1.2 InChI

InChI=1S/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2

2.1.3 InChI Key

HVLUYXIJZLDNIS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CSC(=C1)CCN

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 30433-91-1

2. 2-thiopheneethylamine

3. 2-(thiophen-2-yl)ethanamine

4. 2-thien-2-ylethanamine

5. 2-thiopheneethanamine

6. 2-(thiophen-2-yl)ethan-1-amine

7. 2-(2-thienyl)ethylamine

8. 2-thiophen-2-ylethanamine

9. Thiopheneethylamine

10. 2-(2-aminoethyl)thiophene

11. Thiopheneethanamine(9ci)

12. Mfcd00051495

13. 64059-34-3

14. Thiopheneethanamine

15. Chembl252803

16. 2-(2-thienyl)ethanamine

17. [2-(thiophene-2-yl)ethyl]amine

18. 2-(thiophen-2-yl)ethylamine

19. Thiophene-1-ethylamine

20. Einecs 264-646-7

21. 2-(2'-thienyl)ethyl Amine

22. Thienylethylamine

23. 2-thienylethlamine

24. Thiopene Ethylamine

25. 2-thienylethylamine

26. 2-thiophenethylamine

27. Einecs 250-196-9

28. 2-aminoethylthiophene

29. 2-thiophenyl Ethylamine

30. 2-thiophen-2-ylethylamine

31. 2-(2-thienyl)ethyl Amine

32. Beta-(2-thienyl)ethylamine

33. Ec 250-196-9

34. .beta.-2-thienylethylamine

35. 2-(2-thienyl)-ethylamine

36. 2-thiophen-2-yl Ethylamine

37. 2-thiophen-2-yl-ethylamine

38. 2-(2-aminoethyl)-thiophene

39. 2-thiophene-2-yl-ethylamine

40. 2-(2-thienyl)ethanamine #

41. 2-thiopheneethylamine, 96%

42. Bidd:gt0488

43. Schembl244450

44. 2-(2-thienyl)-1-ethanamine

45. 2-(thiophen-2-yl)ethaneamine

46. Schembl7086137

47. Schembl9221266

48. Dtxsid60952773

49. Hms1789c01

50. Zinc154805

51. Albb-006230

52. Str06269

53. Bbl001466

54. Bdbm50227513

55. Stk501234

56. Akos000125051

57. Ac-6275

58. Cs-w016557

59. Pb12982

60. Ps-3264

61. Sb10582

62. Ncgc00330609-01

63. Am803664

64. Sy004316

65. Db-038131

66. Bb 0221013

67. Ft-0602566

68. En300-12163

69. Ab01324885-02

70. 433t911

71. W-106941

72. F2190-0537

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₉NS
Molecular Weight	127.21 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	127.04557046 g/mol
Monoisotopic Mass	127.04557046 g/mol
Topological Polar Surface Area	54.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	65.5
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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