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    CAS 5424-47-5

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 5424-47-5, 3-(dimethylamino)-1-(2-thienyl)-1-propanone hydrochloride, 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride, 1-propanone, 3-(dimethylamino)-1-(2-thienyl)-, hydrochloride, 2-[3-(dimethylamino)propionyl]thiophene hydrochloride, 3-dimethylamino-1-(2-thienyl)-1-propanone hcl
    Molecular Formula
    C9H14ClNOS
    Molecular Weight
    219.73  g/mol
    InChI Key
    HPVHJPMLORARSR-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C9H13NOS.ClH/c1-10(2)6-5-8(11)9-4-3-7-12-9;/h3-4,7H,5-6H2,1-2H3;1H
    2.1.3 InChI Key
    HPVHJPMLORARSR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)CCC(=O)C1=CC=CS1.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 5424-47-5

    2. 3-(dimethylamino)-1-(2-thienyl)-1-propanone Hydrochloride

    3. 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride

    4. 1-propanone, 3-(dimethylamino)-1-(2-thienyl)-, Hydrochloride

    5. 2-[3-(dimethylamino)propionyl]thiophene Hydrochloride

    6. 3-dimethylamino-1-(2-thienyl)-1-propanone Hcl

    7. 3-dimethylamino-1-(2-thienyl)-1-propanone Hydrochloride

    8. 2-thienyl-2-dimethylaminoethyl Ketone Hcl

    9. 3-(dimethylamino)-1-(2-thienyl)-1-propanone, Hcl

    10. Mfcd00126349

    11. Bim-0008383.p001

    12. Cambridge Id 5927860

    13. Schembl3303

    14. 3-dimethylamino-1-(2-thienyl)propan-1-one Hydrochloride

    15. Amy8711

    16. Dtxsid50386942

    17. Bcp08868

    18. Nsc12221

    19. Nsc 12221

    20. Nsc-12221

    21. Akos015964738

    22. Ac-1548

    23. Cs-w010467

    24. Js-3003

    25. Sy004008

    26. D4011

    27. Ft-0759548

    28. 424d475

    29. 2-[3-(dimethylamino)propionyl]thiophenehydrochloride

    30. 2-thienyl 2-dimethylaminoethyl Ketone Hydrochloride

    31. 2-thienyl-2-dimethylaminoethyl Ketone Hydrochloride

    32. 3-(dimethylamino)-1-(2-thienyl)-1-propanone, Hc

    33. 3-(dimethylamino)-1-(2-thienyl)-1-propanone Hcl

    34. 3-dimethylamino-1-(2-thienyl)-propan-1-one Hydrochloride

    35. 3-dimethylamino-1-thiophen-2-yl-propan-1-one Hydrochloride

    36. 1-(n,n-dimethylamino)-3-(2-thienyl)-propan-3-one Hydrochloride

    37. 3-(dimethylamino)-1-(thiophen-2-yl) Propan-1-one Hydrochloride

    38. 3-(n, N-dimethylamino)-1-(2-thienyl) Propan-1-one Hydrochloride

    39. 3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one--hydrogen Chloride (1/1)

    2.3 Create Date
    2005-07-29
    3 Chemical and Physical Properties
    Molecular Weight 219.73 g/mol
    Molecular Formula C9H14ClNOS
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass219.0484629 g/mol
    Monoisotopic Mass219.0484629 g/mol
    Topological Polar Surface Area48.6 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity159
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2