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    CAS 92-30-8

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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 Weight 267.27 g/mol
    Molecular Formula C13H8F3NS
    XLogP35
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count0
    Exact Mass267.03295492 g/mol
    Monoisotopic Mass267.03295492 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity307
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1