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    Technical details about 4CH-019261, learn more about the structure, uses, toxicity, action, side effects and more

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    4CH-019261

    Manufacturers/Suppliers

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 630-22-8, 2,2,2-trimethylthioacetamide, 2,2-dimethylthiopropionamide, Propanethioamide, 2,2-dimethyl-, Neopentanethioamide, Thiopivalamide
    Molecular Formula
    C5H11NS
    Molecular Weight
    117.22  g/mol
    InChI Key
    FJZJUSOFGBXHCV-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,2-dimethylpropanethioamide
    2.1.2 InChI
    InChI=1S/C5H11NS/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)
    2.1.3 InChI Key
    FJZJUSOFGBXHCV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)C(=S)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 630-22-8

    2. 2,2,2-trimethylthioacetamide

    3. 2,2-dimethylthiopropionamide

    4. Propanethioamide, 2,2-dimethyl-

    5. Neopentanethioamide

    6. Thiopivalamide

    7. 2,2-dimethyl-thiopropionamide

    8. 2,2-dimethylthio Propionamide

    9. Schembl1026012

    10. Niosh/ue4523000

    11. Schembl12102191

    12. Dtxsid00388714

    13. 2-methyl-2-methylthiopropionamide

    14. Zinc5713489

    15. Mfcd09742834

    16. Nsc381432

    17. Akos000150524

    18. Propionamide, 2-methyl-2-methylthio-

    19. Nsc-381432

    20. As-10697

    21. Db-028038

    22. Am20100553

    23. Cs-0044786

    24. Ft-0698711

    25. Ue45230000

    26. En300-36990

    27. 630d228

    28. A846842

    29. Z381061566

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 117.22 g/mol
    Molecular Formula C5H11NS
    XLogP31.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass117.06122053 g/mol
    Monoisotopic Mass117.06122053 g/mol
    Topological Polar Surface Area58.1 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity80.6
    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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