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    BUILDING BLOCK

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    Chemistry

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    Also known as: 76162-56-6, 851-473-2, 3-methyl-[1,2,4]thiadiazole-5-carboxylic acid ethyl ester, Mfcd22201205, Schembl22578954, Akos024262521
    Molecular Formula
    C6H8N2O2S
    Molecular Weight
    172.21  g/mol
    InChI Key
    ZYVYMUYJEAVYOC-UHFFFAOYSA-N
    CAS 76162-56-6
    1 2D Structure

    CAS 76162-56-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate
    2.1.2 InChI
    InChI=1S/C6H8N2O2S/c1-3-10-6(9)5-7-4(2)8-11-5/h3H2,1-2H3
    2.1.3 InChI Key
    ZYVYMUYJEAVYOC-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 76162-56-6

    2. 851-473-2

    3. 3-methyl-[1,2,4]thiadiazole-5-carboxylic Acid Ethyl Ester

    4. Mfcd22201205

    5. Schembl22578954

    6. Akos024262521

    7. Fe58895

    8. Sb38631

    9. As-83311

    10. Db-334155

    11. Cs-0042201

    12. A12831

    13. En300-114880

    14. Ethyl3-methyl-1,2,4-thiadiazole-5-carboxylate

    15. F9995-1829

    16. Z1480639443

    2.3 Create Date
    2006-10-27
    3 Chemical and Physical Properties
    Molecular Weight 172.21 g/mol
    Molecular Formula C6H8N2O2S
    XLogP31.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area80.3
    Heavy Atom Count11
    Formal Charge0
    Complexity154
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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