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Overview

Client Email Product
1693-28-3
PharmaCompass
1693-28-3
Also known as: 1693-28-3, 2-trifluoromethyl thioxanthone, 2-(trifluoromethyl)-9h-thioxanthen-9-one, 2-trifluoromethylthioxanthone, 9h-thioxanthen-9-one, 2-(trifluoromethyl)-, 2-trifludromethylthioxanthone
Molecular Formula
C14H7F3OS
Molecular Weight
280.27  g/mol
InChI Key
NEWRXGDGZGIHIS-UHFFFAOYSA-N

1 2D Structure

1693-28-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(trifluoromethyl)thioxanthen-9-one
2.1.2 InChI
InChI=1S/C14H7F3OS/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H
2.1.3 InChI Key
NEWRXGDGZGIHIS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C(F)(F)F
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 2-chloro-n-(3-chloro-4-(5-chlorobenzo(d)thiazol-2-ylthio)phenyl)-4-(trifluoromethyl)benzenesulfonamide

2. T2384

2.2.2 Depositor-Supplied Synonyms

1. 1693-28-3

2. 2-trifluoromethyl Thioxanthone

3. 2-(trifluoromethyl)-9h-thioxanthen-9-one

4. 2-trifluoromethylthioxanthone

5. 9h-thioxanthen-9-one, 2-(trifluoromethyl)-

6. 2-trifludromethylthioxanthone

7. Mfcd00079785

8. 2-trifluormethyl-9-thiaxanthen-9-one

9. 2-(trifluoromethyl)dibenzo[b,e]thiin-10-one

10. Einecs 216-893-7

11. Pubchem10678

12. Acmc-209dzj

13. Ac1l2lny

14. Ac1q4jzi

15. 2-trifluormethyl-thioxanthon

16. C14h9f3os

17. Ksc490e0r

18. Schembl2810528

19. Jsp003437

20. Ctk3j0208

21. Dtxsid50168689

22. Newrxgdgzgihis-uhfffaoysa-n

23. Ks-00000c6h

24. Zinc4128404

25. Anw-22397

26. Ccg-51589

27. Ct-227

28. Pc2019

29. Sbb056386

30. Akos015852798

31. Ac-2140

32. An-1127

33. Ls40360

34. Mcule-1995799338

35. Rp29838

36. Rtr-031305

37. Tra0072035

38. Vz25216

39. 2-trifluoromethyl-10-thiaxanthen-9-one

40. 2-trifluoromethyl-9h-thioxanthen-9-one

41. 112gi002

42. As-12391

43. Cj-11347

44. Sc-16895

45. Sy032577

46. 9h-thioxanthen-9-one,2-(trifluoromethyl)-

47. Ab0011848

48. Db-014175

49. Tl8001317

50. Tr-031305

51. Ft-0608950

52. St50950121

53. T2384

54. 2-(trifluoromethyl)-9h-thioxanthen-9-one #

55. Mfcd00079785 (97%)

56. M-1382

57. 693t283

58. I01-3279

59. Sr-01000640881-1

60. W-107892

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 280.27 g/mol
Molecular Formula C14H7F3OS
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass280.016971 g/mol
Monoisotopic Mass280.016971 g/mol
Topological Polar Surface Area42.4 A^2
Heavy Atom Count19
Formal Charge0
Complexity368
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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