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    Technical details about CAS 86-39-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 86-39-5

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 86-39-5, 2-chlorothioxanthen-9-one, 2-chloro-9h-thioxanthen-9-one, 9h-thioxanthen-9-one, 2-chloro-, Mls000584923, Rgs87t004b
    Molecular Formula
    C13H7ClOS
    Molecular Weight
    246.71  g/mol
    InChI Key
    ZCDADJXRUCOCJE-UHFFFAOYSA-N
    FDA UNII
    RGS87T004B
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chlorothioxanthen-9-one
    2.1.2 InChI
    InChI=1S/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H
    2.1.3 InChI Key
    ZCDADJXRUCOCJE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    RGS87T004B
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-chlorothioxanthen-9-one

    2.3.2 Depositor-Supplied Synonyms

    1. 86-39-5

    2. 2-chlorothioxanthen-9-one

    3. 2-chloro-9h-thioxanthen-9-one

    4. 9h-thioxanthen-9-one, 2-chloro-

    5. Mls000584923

    6. Rgs87t004b

    7. 2-chlorothioxanthen-9-one, 98%

    8. Mfcd00005067

    9. Smr000207308

    10. 2-chlorothiaxanthone

    11. 2-chlorothioxanthene-9-one

    12. Unii-rgs87t004b

    13. Einecs 201-667-2

    14. Sandoray 1050

    15. 2-chloro-thioxanthone

    16. 2-chloro-9-thioxanthone

    17. Ai3-28100

    18. 2-chloro-9-thioxanthenone

    19. 2-chloro-thioxanthen-9-one

    20. Schembl37075

    21. 2-chloranylthioxanthen-9-one

    22. Cid_618848

    23. Thioxanthen-9-one, 2-chloro-

    24. Chembl1404465

    25. Bdbm74837

    26. Dtxsid90861667

    27. Hms2577i05

    28. 2-chloro-9h-thioxanthen-9-one #

    29. Zinc5019985

    30. Akos000507449

    31. Ac-8084

    32. Cs-w020969

    33. As-12064

    34. Sy033135

    35. Db-014095

    36. Eu-0066618

    37. Ft-0612028

    38. F13426

    39. 005c067

    40. Sr-01000597219

    41. Sr-01000597219-1

    42. W-104069

    43. Q27288110

    44. Tert-butyls-(4,6-dimethylpyrimidin-2-yl)thiolcarbonate

    45. N-cyclopropyl-4-{[1-(3-methylbutanoyl)piperidin-4-yl]methoxy}benzamide

    46. Zuclopenthixol Impurity B, European Pharmacopoeia (ep) Reference Standard

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 246.71 g/mol
    Molecular Formula C13H7ClOS
    XLogP34.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass245.9906137 g/mol
    Monoisotopic Mass245.9906137 g/mol
    Topological Polar Surface Area42.4 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity294
    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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