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    CAS 144163-97-3

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 144163-97-3, ((5-thiazolyl)methyl)-(4-nitrophenyl)carbonate, Thiazolylmethyl-4-nitrophenylcarbonate, (4-nitrophenyl) 1,3-thiazol-5-ylmethyl carbonate, Carbonic acid 4-nitrophenyl 5-thiazolylmethyl ester, Carbonic acid, 4-nitrophenyl 5-thiazolylmethyl ester
    Molecular Formula
    C11H8N2O5S
    Molecular Weight
    280.26  g/mol
    InChI Key
    FTEKBGGQRNJIPQ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4-nitrophenyl) 1,3-thiazol-5-ylmethyl carbonate
    2.1.2 InChI
    InChI=1S/C11H8N2O5S/c14-11(17-6-10-5-12-7-19-10)18-9-3-1-8(2-4-9)13(15)16/h1-5,7H,6H2
    2.1.3 InChI Key
    FTEKBGGQRNJIPQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OCC2=CN=CS2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 144163-97-3

    2. ((5-thiazolyl)methyl)-(4-nitrophenyl)carbonate

    3. Thiazolylmethyl-4-nitrophenylcarbonate

    4. (4-nitrophenyl) 1,3-thiazol-5-ylmethyl Carbonate

    5. Carbonic Acid 4-nitrophenyl 5-thiazolylmethyl Ester

    6. Carbonic Acid, 4-nitrophenyl 5-thiazolylmethyl Ester

    7. 4-nitrophenyl Thiazol-5-ylmethyl Carbonate

    8. 4-nitrophenyl (1,3-thiazol-5-yl)methyl Carbonate

    9. Mfcd09750981

    10. (4-nitrophenyl) Thiazol-5-ylmethyl Carbonate

    11. Carbonic Acid,4-nitrophenyl-5-thiazolyl Methyl Ester(nct)

    12. 4-nitrophenyl (5-thiazolylmethyl) Carbonate

    13. Ec 680-587-3

    14. 4-nitrophenyl 1,3-thiazol-5-ylmethyl Carbonate

    15. Schembl272963

    16. Dtxsid10432333

    17. Bcp28373

    18. Zinc72400623

    19. Akos015889239

    20. Ac-1728

    21. Am84400

    22. As-16046

    23. Sy102959

    24. 4-nitrophenyl(thiazol-5-ylmethyl)carbonate

    25. 5-(p-nitrophenoxycarbonyloxymethyl)thiazole

    26. 5-(p-nitrophenyoxycarbonyloxymethyl)thiazole

    27. 5-(p-nitrophenoxycarbonyloxy Methyl)thiazole

    28. 5-(p-nitrophenyloxycarbonyloxymethyl)thiazole

    29. Cs-0157448

    30. Ft-0650147

    31. 5-(p-nitrophenyloxycarbonyloxy-methyl)thiazole

    32. Thiazolylmethyl-4-nitrophenylcarbonate-[13c3]

    33. 163t973

    34. A808184

    35. Carbonic Acid 4-nitrophenyl=5-thiazolylmethyl Ester

    36. J-007925

    37. J-515881

    38. Carbonic Acid 4-nitrophenyl Ester Thiazol-5-ylmethyl Ester

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 280.26 g/mol
    Molecular Formula C11H8N2O5S
    XLogP32.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass280.01539253 g/mol
    Monoisotopic Mass280.01539253 g/mol
    Topological Polar Surface Area123 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity328
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1