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    CAS 162515-68-6

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 162515-68-6, 2-[1-(mercaptomethyl)cyclopropyl]acetic acid, 2-(1-(mercaptomethyl)cyclopropyl)acetic acid, Cyclopropaneacetic acid, 1-(mercaptomethyl)-, 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid, 1-(mercaptomethyl)cyclopropylacetic acid
    Molecular Formula
    C6H10O2S
    Molecular Weight
    146.21  g/mol
    InChI Key
    VFAXPOVKNPTBTM-UHFFFAOYSA-N
    FDA UNII
    1X00T93WYX
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[1-(sulfanylmethyl)cyclopropyl]acetic acid
    2.1.2 InChI
    InChI=1S/C6H10O2S/c7-5(8)3-6(4-9)1-2-6/h9H,1-4H2,(H,7,8)
    2.1.3 InChI Key
    VFAXPOVKNPTBTM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1(CC(=O)O)CS
    2.2 Other Identifiers
    2.2.1 UNII
    1X00T93WYX
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 162515-68-6

    2. 2-[1-(mercaptomethyl)cyclopropyl]acetic Acid

    3. 2-(1-(mercaptomethyl)cyclopropyl)acetic Acid

    4. Cyclopropaneacetic Acid, 1-(mercaptomethyl)-

    5. 2-[1-(sulfanylmethyl)cyclopropyl]acetic Acid

    6. 1-(mercaptomethyl)cyclopropylacetic Acid

    7. 1-(mercaptomethyl)-cyclopropaneacetic Acid

    8. [1-(mercaptomethyl)cyclopropyl]acetic Acid

    9. 1x00t93wyx

    10. Unii-1x00t93wyx

    11. Ec 420-240-3

    12. Schembl625309

    13. Dtxsid00167384

    14. Bcp07650

    15. Zinc2524900

    16. Mfcd03411600

    17. Akos006379354

    18. Am84551

    19. (1-mercaptomethylcyclopropyl)acetic Acid

    20. As-13402

    21. 1-(mercaptomethyl) Cyclopropaneacetic Acid

    22. 1-(mercaptomethyl)cyclopropaneacetic Acid,

    23. 1-(mercapto Methyl)cyclopropane Acetic Acid

    24. 2-(1-(mercaptomethyl)cyclopropyl)aceticacid

    25. Cs-0088374

    26. Ft-0602336

    27. M2074

    28. En300-91513

    29. 1-(mercaptomethyl)cyclopropaneacetic Acid, 97%

    30. T71880

    31. 515m686

    32. J-507629

    33. Q27253004

    34. Z1741972969

    35. 1-(mercaptomethyl)cyclopropaneacetic Acid (2-[1-(sulfanylmethyl)cyclopropyl]acetic Acid)

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 146.21 g/mol
    Molecular Formula C6H10O2S
    XLogP30.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass146.04015073 g/mol
    Monoisotopic Mass146.04015073 g/mol
    Topological Polar Surface Area38.3 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity129
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1