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    CAS 1771-18-2

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2-methoxyphenothiazine, 1771-18-2, 10h-phenothiazine, 2-methoxy-, Methyl phenothiazin-2-yl ether, Phenothiazine, 2-methoxy-, Mfcd00037838
    Molecular Formula
    C13H11NOS
    Molecular Weight
    229.30  g/mol
    InChI Key
    DLYKFPHPBCTAKD-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-methoxy-10H-phenothiazine
    2.1.2 InChI
    InChI=1S/C13H11NOS/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
    2.1.3 InChI Key
    DLYKFPHPBCTAKD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC2=C(C=C1)SC3=CC=CC=C3N2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2-methoxyphenothiazine

    2. 1771-18-2

    3. 10h-phenothiazine, 2-methoxy-

    4. Methyl Phenothiazin-2-yl Ether

    5. Phenothiazine, 2-methoxy-

    6. Mfcd00037838

    7. Chembl64404

    8. Nsc 72107

    9. Nsc72107

    10. Einecs 217-195-5

    11. 2methoxy-phenothiazine

    12. Timtec1_000536

    13. Oprea1_747823

    14. Cid_74490

    15. Schembl239600

    16. Zinc35763

    17. Dtxsid70170249

    18. Chebi:125620

    19. Hms1535i08

    20. Albb-025822

    21. Bdbm50012881

    22. Nsc-72107

    23. Stk400090

    24. Akos001305620

    25. Am10783

    26. Cs-w012974

    27. Hy-w012258

    28. Ac-16556

    29. As-59826

    30. Sy053063

    31. Db-014140

    32. Ft-0612858

    33. M0822

    34. D91390

    35. 771m182

    36. Sr-03000000753-1

    37. W-107831

    38. Brd-k70980943-001-01-1

    39. Q27216232

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 229.30 g/mol
    Molecular Formula C13H11NOS
    XLogP34.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass229.05613515 g/mol
    Monoisotopic Mass229.05613515 g/mol
    Topological Polar Surface Area46.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity248
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1