loader
Please Wait
Applying Filters...

Minakem Generic APIs Minakem Generic APIs

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 6631-94-3, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 6631-94-3

    Manufacturers/Suppliers

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: 2-acetylphenothiazine, 6631-94-3, Ml171, Ethanone, 1-(10h-phenothiazin-2-yl)-, Methyl phenothiazin-2-yl ketone, Ml 171
    Molecular Formula
    C14H11NOS
    Molecular Weight
    241.31  g/mol
    InChI Key
    JWGBOHJGWOPYCL-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(10H-phenothiazin-2-yl)ethanone
    2.1.2 InChI
    InChI=1S/C14H11NOS/c1-9(16)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)17-14/h2-8,15H,1H3
    2.1.3 InChI Key
    JWGBOHJGWOPYCL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 2-acetylphenothiazine

    2. 2-apt Compound

    3. Ml171

    2.2.2 Depositor-Supplied Synonyms

    1. 2-acetylphenothiazine

    2. 6631-94-3

    3. Ml171

    4. Ethanone, 1-(10h-phenothiazin-2-yl)-

    5. Methyl Phenothiazin-2-yl Ketone

    6. Ml 171

    7. 2-acetylphenothiazine;2-apt

    8. Mls000047624

    9. 2-acetylphenothiazine (ml171)

    10. 3-acetylphenothiazine

    11. 1-(10h-phenothiazin-2-yl)ethan-1-one

    12. Smr000033635

    13. Sr-01000597201

    14. Nsc57951

    15. Einecs 229-626-4

    16. Unii-8dee7h3xab

    17. 8dee7h3xab

    18. 2-acetyl-10h-phenothiazine

    19. 2-acetylphenothiazine, 95%

    20. Cid_81131

    21. Mls003166900

    22. Bidd:gt0700

    23. Schembl342449

    24. Chembl407734

    25. Bdbm42323

    26. Chebi:92473

    27. Dtxsid20216525

    28. Hms2301e19

    29. Hms3869j13

    30. Zinc119687

    31. Mfcd00005017

    32. Nsc 57951

    33. Nsc-57951

    34. Nsc169669

    35. S5304

    36. Stk301831

    37. Akos000119447

    38. Bs-4506

    39. Ccg-266883

    40. Nsc 169669

    41. Nsc-169669

    42. 1-(10h-phenothiazin-2-yl)ethanone #

    43. Ac-11153

    44. Ac-33136

    45. Hy-12805

    46. Db-020348

    47. Cs-0012526

    48. Ft-0610945

    49. 631a943

    50. A867484

    51. Ak-968/41128722

    52. Sr-01000597201-1

    53. Sr-01000597201-3

    54. Sr-01000597201-4

    55. Sr-01000597201-6

    56. Q27164209

    57. Z256709112

    58. 2-acetylphenothiazine; Methyl Phenothiazin-2-yl Ketone; Labotest-bb Lt00012652; 2-acetyl-phenothiazine

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 241.31 g/mol
    Molecular Formula C14H11NOS
    XLogP33.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass241.05613515 g/mol
    Monoisotopic Mass241.05613515 g/mol
    Topological Polar Surface Area54.4 Ų
    Heavy Atom Count17
    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
    Post Enquiry
    POST ENQUIRY