CAS 92-30-8

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Also known as: 92-30-8, 2-(trifluoromethyl)-10h-phenothiazine, 2-trifluoromethylphenothiazine, 2-(trifluoromethyl)-phenothiazine, Trifluoromethylphenothiazine, 10h-phenothiazine, 2-(trifluoromethyl)-

Molecular Formula

C₁₃H₈F₃NS

Molecular Weight

267.27 g/mol

InChI Key

RKGYJVASTMCSHZ-UHFFFAOYSA-N

FDA UNII

877S053KX3

1 2D Structure

CAS 92-30-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(trifluoromethyl)-10H-phenothiazine

2.1.2 InChI

InChI=1S/C13H8F3NS/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h1-7,17H

2.1.3 InChI Key

RKGYJVASTMCSHZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)C(F)(F)F

2.2 Other Identifiers

2.2.1 UNII

877S053KX3

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Trifluoromethylphenothiazine

2.3.2 Depositor-Supplied Synonyms

1. 92-30-8

2. 2-(trifluoromethyl)-10h-phenothiazine

3. 2-trifluoromethylphenothiazine

4. 2-(trifluoromethyl)-phenothiazine

5. Trifluoromethylphenothiazine

6. 10h-phenothiazine, 2-(trifluoromethyl)-

7. Phenothiazine, 2-(trifluoromethyl)-

8. 2-trifluoromethyl-10h-phenothiazine

9. Mfcd00005018

10. Nsc-50438

11. 877s053kx3

12. Sr-01000441858-2

13. Einecs 202-145-7

14. Nsc 50438

15. Brn 0226580

16. 2-(triflouomethyl) Phenothiazine

17. Cid_7082

18. 4-27-00-01352 (beilstein Handbook Reference)

19. Mls003166902

20. Schembl560225

21. 2-trifluoromethyl Phenothiazine

22. 2-trifluoromethyl-phenothiazine

23. Chembl541018

24. Dtxsid3059050

25. Unii-877s053kx3

26. Bdbm65841

27. Chebi:92925

28. Zinc164387

29. Amy32660

30. Nsc50438

31. Ccg-44949

32. Stk325860

33. Akos001305498

34. Ac-1827

35. Cs-w021465

36. 2-(trifluoromethyl)-10h-phenothiazine #

37. As-14298

38. Smr001814476

39. Sy049028

40. Db-019568

41. Ft-0608971

42. T1407

43. O10543

44. T-6400

45. Trifluoromethyl)-10h-phenothiazine, 2-(

46. Sr-01000441858

47. Sr-01000441858-1

48. Brd-k53032901-001-03-8

49. Q27164667

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₈F₃NS
Molecular Weight	267.27 g/mol
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	267.03295492 g/mol
Monoisotopic Mass	267.03295492 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	307
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