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CAS 1003-09-4
PharmaCompass
  • Chemistry
CAS 1003-09-4
Also known as: 1003-09-4, 2-thienyl bromide, Thiophene, 2-bromo-, Thiophene, bromo-, Bromothiophene, 2-bromo-thiophene
Molecular Formula
C4H3BrS
Molecular Weight
163.032  g/mol
InChI Key
TUCRZHGAIRVWTI-UHFFFAOYSA-N

1 2D Structure

CAS 1003-09-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-bromothiophene
2.1.2 InChI
InChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3H
2.1.3 InChI Key
TUCRZHGAIRVWTI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CSC(=C1)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1003-09-4

2. 2-thienyl Bromide

3. Thiophene, 2-bromo-

4. Thiophene, Bromo-

5. Bromothiophene

6. 2-bromo-thiophene

7. 2-bromo Thiophene

8. Tucrzhgairvwti-uhfffaoysa-n

9. Mfcd00005417

10. Sbb003931

11. Thienyl Bromide

12. 5-bromothiophene

13. Nsc4456

14. 5-bromo-thiophene

15. 2-bromanylthiophene

16. Nsc 4456

17. Einecs 213-699-4

18. Sfpdabhhryszzp@

19. Pubchem5313

20. 2-bromothiophene, 98%

21. Acmc-2097on

22. Alpha-thienyl Bromide

23. Schembl22395

24. Ksc180k0p

25. Bidd:gt0231

26. Ac1l22m8

27. Ac1q256f

28. Jsp000089

29. Dtxsid4061389

30. 2-bromothiophene, 98% 50g

31. Ctk0i0507

32. Ablock Ab-12-3942

33. Molport-000-142-466

34. Nsc-4456

35. Zinc1673392

36. Ac-194

37. Anw-14229

38. Akos000121588

39. Cs-w020109

40. Ds-1962

41. Ls20644

42. Mcule-1364150691

43. Ps-5772

44. Rp02282

45. Rtc-060261

46. Tra0047779

47. 60326-18-3

48. Aj-29319

49. Ak-76677

50. An-16059

51. Bc002937

52. Bc676814

53. Bc677960

54. Cj-06163

55. Cj-27259

56. Kb-68350

57. Sc-00017

58. Db-020745

59. St2409763

60. Tc-060261

61. Tl8000043

62. B0941

63. Ft-0611618

64. Ft-0611619

65. Ft-0689817

66. St50406225

67. H23029

68. M-4597

69. A800095

70. I09-0023

71. Q-200247

72. Inchi=1/c4h3brs/c5-4-2-1-3-6-4/h1-3

73. F0001-0036

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 163.032 g/mol
Molecular Formula C4H3BrS
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass161.914 g/mol
Monoisotopic Mass161.914 g/mol
Topological Polar Surface Area28.2 A^2
Heavy Atom Count6
Formal Charge0
Complexity46.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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