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    CAS 2782-91-4

    PharmaCompass
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    2D Structure
    Also known as: 2782-91-4, 1,1,3,3-tetramethylthiourea, 1,1,3,3-tetramethyl-2-thiourea, Thiourea, tetramethyl-, Basthioryl, Tmtu
    Molecular Formula
    C5H12N2S
    Molecular Weight
    132.23  g/mol
    InChI Key
    MNOILHPDHOHILI-UHFFFAOYSA-N
    FDA UNII
    J6T67A1P72
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,1,3,3-tetramethylthiourea
    2.1.2 InChI
    InChI=1S/C5H12N2S/c1-6(2)5(8)7(3)4/h1-4H3
    2.1.3 InChI Key
    MNOILHPDHOHILI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)C(=S)N(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    J6T67A1P72
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2782-91-4

    2. 1,1,3,3-tetramethylthiourea

    3. 1,1,3,3-tetramethyl-2-thiourea

    4. Thiourea, Tetramethyl-

    5. Basthioryl

    6. Tmtu

    7. N,n,n',n'-tetramethylthiourea

    8. Urea, Thio-, Tetramethyl-

    9. Na-101

    10. Urea, 1,1,3,3-tetramethyl-2-thio-

    11. Thiourea, N,n,n',n'-tetramethyl-

    12. Tetramethyl Thiourea

    13. Tetramethyl-thiourea

    14. Nsc 102499

    15. J6t67a1p72

    16. Nsc-102499

    17. Tetramethyl-2-thiourea

    18. Ccris 4871

    19. Hsdb 6777

    20. Einecs 220-488-0

    21. Brn 1744916

    22. Unii-j6t67a1p72

    23. Ai3-28290

    24. Mfcd00008324

    25. Tetra Methyl Thiourea

    26. Tmtu, 1,1,3,3-tetramethyl-2-thiourea

    27. Tetramethylthiourea, 98%

    28. Schembl15657

    29. N,n',n'-tetramethylthiourea

    30. 4-04-00-00232 (beilstein Handbook Reference)

    31. Chembl12214

    32. Dtxsid5026126

    33. Schembl11104551

    34. Tetramethylthiuronium-2-ylradical

    35. Tetramethylthiourea [hsdb]

    36. ((ch3)2n)2cs

    37. Chebi:191168

    38. Zinc388100

    39. Urea,1,3,3-tetramethyl-2-thio-

    40. Nsc102499

    41. Stk370053

    42. Akos005445484

    43. Ncgc00341713-01

    44. As-12238

    45. Urea,1,1,3,3-tetramethyl,2-thio

    46. Cs-0151338

    47. Ft-0606007

    48. Tetramethyl-2-thiourea, 1,1,3,3-

    49. H10721

    50. Ab01334043-02

    51. 10.14272/mnoilhpdhohili-uhfffaoysa-n.1

    52. Doi:10.14272/mnoilhpdhohili-uhfffaoysa-n.1

    53. J-016889

    54. Q22159079

    55. F1285-1701

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 132.23 g/mol
    Molecular Formula C5H12N2S
    XLogP30.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass132.07211956 g/mol
    Monoisotopic Mass132.07211956 g/mol
    Topological Polar Surface Area38.6 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity78.4
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Therapeutic Uses

    As an antithyroid agent.

    NIOSH; Thiourea and Compounds: Information Profiles on Potential Occupational Hazards. Contract No. 210-79-0030, National Institute for Occupational Safety and Health, Rockville, MD (1982)