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    CAS 132335-44-5

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 132335-44-5, (s)-3-(dimethylamino)-1-(2-thienyl)-1-propanol, (1s)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol, S-(-)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)propanamine, (1s)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol, (s)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)propanamine
    Molecular Formula
    C9H15NOS
    Molecular Weight
    185.29  g/mol
    InChI Key
    XWCNSHMHUZCRLN-QMMMGPOBSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol
    2.1.2 InChI
    InChI=1S/C9H15NOS/c1-10(2)6-5-8(11)9-4-3-7-12-9/h3-4,7-8,11H,5-6H2,1-2H3/t8-/m0/s1
    2.1.3 InChI Key
    XWCNSHMHUZCRLN-QMMMGPOBSA-N
    2.1.4 Canonical SMILES
    CN(C)CCC(C1=CC=CS1)O
    2.1.5 Isomeric SMILES
    CN(C)CC[C@@H](C1=CC=CS1)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 132335-44-5

    2. (s)-3-(dimethylamino)-1-(2-thienyl)-1-propanol

    3. (1s)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol

    4. S-(-)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)propanamine

    5. (1s)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol

    6. (s)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)propanamine

    7. (1s)-3-(dimethylamino)-1-(2-thienyl)propan-1-ol

    8. (s)-1-beta-hydroxy-1-(2-thienyl)-3-dimethylaminopropane

    9. Mfcd07782107

    10. Ec 603-565-7

    11. Schembl522925

    12. S-(+)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)-1-propylamide

    13. Chembl4551881

    14. Dtxsid10433380

    15. Act07227

    16. Amy22671

    17. Ac-367

    18. Zinc21297816

    19. Akos006285188

    20. Akos015850814

    21. Cs-w023104

    22. Ds-1075

    23. D4010

    24. En300-91510

    25. A18158

    26. (s)-3-dimethylamino-1-(2-thienyl)-1-propanol

    27. (s)-3-(dimethylamino)-1-(thienyl)-propan-1-ol

    28. 3-hydroxy-n,n-dimethyl-3-(2-thienyl)propanamine

    29. 335d445

    30. (s)-1-(2-thienyl)-3-(dimethylamino)-1-propanol

    31. J-502318

    32. (s)-2-[3-(dimethylamino)-1-hydroxypropyl]thiophene

    33. (s)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol

    34. (s)-1-?-hydroxy-1-(2-thienyl)-3-dimethylaminopropane

    35. (s)-3-(dimethylamino)-1-(thiophen-2-yl) Propan-1-ol

    36. (s)-(-)-n,n-dimethyl-3-(2-thienyl)-3-hydroxypropanamine

    37. (s)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)-1-propanamine

    38. (s)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)-1-propylamine

    39. S)-(-)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)propanamine

    40. (s)-1- Beta -hydroxy-1-(2-thienyl)-3-dimethylaminopropane

    41. (d)-(-)-n,n-dimethyl-3-hydroxy-3-(2-thienyl)-propanamine

    42. 2-thiophenemethanol, Alpha-[2-(dimethylamino)ethyl]-, (alphas)-

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 185.29 g/mol
    Molecular Formula C9H15NOS
    XLogP31.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass185.08743528 g/mol
    Monoisotopic Mass185.08743528 g/mol
    Topological Polar Surface Area51.7 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity130
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1