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    CAS 92-39-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2-chloro-10h-phenothiazine, 92-39-7, 10h-phenothiazine, 2-chloro-, Phenothiazine, 2-chloro-, 2-chloro phenothiazine, 2-chlorothiodiphenylamine
    Molecular Formula
    C12H8ClNS
    Molecular Weight
    233.72  g/mol
    InChI Key
    KFZGLJSYQXZIGP-UHFFFAOYSA-N
    FDA UNII
    95H3AO2301
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-10H-phenothiazine
    2.1.2 InChI
    InChI=1S/C12H8ClNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H
    2.1.3 InChI Key
    KFZGLJSYQXZIGP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    95H3AO2301
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2-chloro-10h-phenothiazine

    2. 92-39-7

    3. 10h-phenothiazine, 2-chloro-

    4. Phenothiazine, 2-chloro-

    5. 2-chloro Phenothiazine

    6. 2-chlorothiodiphenylamine

    7. 2-chloro-phenothiazine

    8. Chlorpromazine Ep Impurity E

    9. Nsc17469

    10. Nsc-17469

    11. Nsc-67188

    12. 95h3ao2301

    13. Nsc-170953

    14. Sr-01000596948-2

    15. Nsc 170953; Nsc 17469; Nsc 67188

    16. Wln: T C666 Bm Isj Eg

    17. Nsc 17469

    18. Einecs 202-152-5

    19. Nsc 170953

    20. Unii-95h3ao2301

    21. Mfcd00005016

    22. 2-chloropheno-thiazine

    23. Cid_7088

    24. Dsstox_cid_31643

    25. Dsstox_rid_97527

    26. Dsstox_gsid_57854

    27. Oprea1_205445

    28. 2-chlorophenothiazine, 95%

    29. 2-chlorophenothiazine, 97%

    30. 2-cl-ph

    31. Bidd:gt0829

    32. Schembl236458

    33. 2-chloranyl-10h-phenothiazine

    34. Chembl1411769

    35. Dtxsid3057854

    36. Bdbm67467

    37. Zinc35809

    38. Albb-021286

    39. Amy23215

    40. Nsc67188

    41. Tox21_113822

    42. Nsc170953

    43. Stk246335

    44. Akos001389001

    45. Cs-w020601

    46. Cas-92-39-7

    47. Ncgc00253702-01

    48. As-16089

    49. Db-014092

    50. Ft-0611988

    51. Ft-0656611

    52. 2-(hydroxymethyl)-5-methylpyrimidine-4,6-diol

    53. C-5250

    54. Sr-01000596948

    55. Sr-01000596948-1

    56. Q27271788

    57. Prochlorperazine Maleate Impurity D [ep Impurity]

    58. Chlorpromazine Hydrochloride Impurity E [ep Impurity]

    59. Chlorpromazine Impurity E, European Pharmacopoeia (ep) Reference Standard

    2.3.2 Other Synonyms

    1. 92-39-7

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 233.72 g/mol
    Molecular Formula C12H8ClNS
    XLogP34.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass233.0065981 g/mol
    Monoisotopic Mass233.0065981 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity236
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1