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    CAS 20295-34-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 20295-34-5, Cyclopropanethiocarboxamide, Mfcd09469287, Cyclopropanethioamide, Bis(2-azidoethyl)ether, Cyclopropane carbothioamide
    Molecular Formula
    C4H7NS
    Molecular Weight
    101.17  g/mol
    InChI Key
    IIPJWNFOLPDTEQ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    cyclopropanecarbothioamide
    2.1.2 InChI
    InChI=1S/C4H7NS/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)
    2.1.3 InChI Key
    IIPJWNFOLPDTEQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1C(=S)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 20295-34-5

    2. Cyclopropanethiocarboxamide

    3. Mfcd09469287

    4. Cyclopropanethioamide

    5. Bis(2-azidoethyl)ether

    6. Cyclopropane Carbothioamide

    7. Cyclopropane-thiocarboxamide

    8. Cyclopropane-1-carbothioamide

    9. Schembl467970

    10. Dtxsid90622836

    11. Albb-014820

    12. Amy30195

    13. Stk351147

    14. Zinc12394934

    15. Akos000152001

    16. Ab50595

    17. Gs-5604

    18. Cyclopropanecarbothioic Acid Amide

    19. Ac-29739

    20. Sy083849

    21. Db-012427

    22. Bb 0262363

    23. Cs-0144906

    24. Ft-0660615

    25. En300-31860

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 101.17 g/mol
    Molecular Formula C4H7NS
    XLogP30.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass101.02992040 g/mol
    Monoisotopic Mass101.02992040 g/mol
    Topological Polar Surface Area58.1 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity75.6
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1