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    CAS 1187595-85-2 manufacturers and suppliers on PharmaCompass

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    [1-(Ethylsulfonyl)Azetidin-3-Ylidene]Acetonitrile

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    [1-(Ethylsulfonyl)Azetidin-3-Ylidene]Acetonitrile
    Also known as: 1187595-85-2, 2-[1-(ethanesulfonyl)azetidin-3-ylidene]acetonitrile, [1-(ethylsulfonyl)azetidin-3-ylidene]acetonitrile, 2-[1-(ethylsulfonyl)-3-azetidinylidene]acetonitrile, 2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile, Schembl871344
    Molecular Formula
    C7H10N2O2S
    Molecular Weight
    186.23  g/mol
    InChI Key
    HQUIOHSYUKWGOM-UHFFFAOYSA-N
    1 2D Structure

    [1-(Ethylsulfonyl)Azetidin-3-Ylidene]Acetonitrile

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile
    2.1.2 InChI
    InChI=1S/C7H10N2O2S/c1-2-12(10,11)9-5-7(6-9)3-4-8/h3H,2,5-6H2,1H3
    2.1.3 InChI Key
    HQUIOHSYUKWGOM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCS(=O)(=O)N1CC(=CC#N)C1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1187595-85-2

    2. 2-[1-(ethanesulfonyl)azetidin-3-ylidene]acetonitrile

    3. [1-(ethylsulfonyl)azetidin-3-ylidene]acetonitrile

    4. 2-[1-(ethylsulfonyl)-3-azetidinylidene]acetonitrile

    5. 2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile

    6. Schembl871344

    7. Amy4434

    8. Dtxsid801221980

    9. Bcp13973

    10. Cs-m2446

    11. Mfcd22987586

    12. Akos025146561

    13. Zinc114741608

    14. Ds-8954

    15. Sb52163

    16. Ac-30033

    17. Da-31808

    18. Ft-0744137

    19. P13428

    20. (1-ethanesulfonyl-azetidin-3-ylidene)-acetonitrile

    21. A892929

    2.3 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 186.23 g/mol
    Molecular Formula C7H10N2O2S
    XLogP3-0.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass186.04629874 g/mol
    Monoisotopic Mass186.04629874 g/mol
    Topological Polar Surface Area69.6 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity333
    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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