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    CAS 138564-58-6

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    CAS 138564-58-6
    Also known as: 138564-58-6, 2-amino-5-methylthiophene-3-carbonitrile, 2-amino-3-cyano-5-methylthiophene, 3-thiophenecarbonitrile, 2-amino-5-methyl-, 2-amino-5-methyl thiophene-3-carbonitrile, 2-amino-5-methyl-thiophene-3-carbonitrile
    Molecular Formula
    C6H6N2S
    Molecular Weight
    138.19  g/mol
    InChI Key
    YGXADLPRHBRTPG-UHFFFAOYSA-N
    1 2D Structure

    CAS 138564-58-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-5-methylthiophene-3-carbonitrile
    2.1.2 InChI
    InChI=1S/C6H6N2S/c1-4-2-5(3-7)6(8)9-4/h2H,8H2,1H3
    2.1.3 InChI Key
    YGXADLPRHBRTPG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(S1)N)C#N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 138564-58-6

    2. 2-amino-5-methylthiophene-3-carbonitrile

    3. 2-amino-3-cyano-5-methylthiophene

    4. 3-thiophenecarbonitrile, 2-amino-5-methyl-

    5. 2-amino-5-methyl Thiophene-3-carbonitrile

    6. 2-amino-5-methyl-thiophene-3-carbonitrile

    7. 2-amino-5-methylthiopene-3-carbonitrile

    8. 2-amino-3-cyano-5-methyl Thiophene

    9. Mfcd01626055

    10. 2-amino-5-methylthiopehne-3-carbonitrile

    11. 2-amino-5-methyl-3-cyanothiophene

    12. Ec 604-082-4

    13. Schembl474156

    14. Zinc58199

    15. Dtxsid40351023

    16. 2-amino-3-cyano-5-methyl Thiophen

    17. Bcp23019

    18. Akos000111623

    19. Ac-4589

    20. Ccg-302518

    21. Cs-w016489

    22. Hy-w015773

    23. Ps-3271

    24. 2-amino-5-methylthiophene3-carbonitrile

    25. Sy020869

    26. 2-amino-5- Methylthiophene-3-carbonitrile

    27. A2351

    28. Am20080285

    29. Ft-0601128

    30. En300-50499

    31. 2-amino-3-cyano-5-methylthiophene, Min. 98%

    32. J-507961

    33. 2-amino-5-methylthiophene-3-carbonitrile, Aldrichcpr

    34. 473532-06-8

    2.3 Create Date
    2005-07-07
    3 Chemical and Physical Properties
    Molecular Weight 138.19 g/mol
    Molecular Formula C6H6N2S
    XLogP31.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass138.02516937 g/mol
    Monoisotopic Mass138.02516937 g/mol
    Topological Polar Surface Area78 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity148
    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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