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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 2,3-dihydrobenzothiazole, 4433-52-7, 2,3-dihydro-1,3-benzothiazole, Benzothiazole, 2,3-dihydro-, T7b4556d2a, Nsc-81218
    Molecular Formula
    C7H7NS
    Molecular Weight
    137.20  g/mol
    InChI Key
    WOHLSTOWRAOMSG-UHFFFAOYSA-N
    FDA UNII
    T7B4556D2A
    CAS No 4433-52-7
    1 2D Structure

    CAS No 4433-52-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,3-dihydro-1,3-benzothiazole
    2.1.2 InChI
    InChI=1S/C7H7NS/c1-2-4-7-6(3-1)8-5-9-7/h1-4,8H,5H2
    2.1.3 InChI Key
    WOHLSTOWRAOMSG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1NC2=CC=CC=C2S1
    2.2 Other Identifiers
    2.2.1 UNII
    T7B4556D2A
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2,3-dihydrobenzothiazole

    2.3.2 Depositor-Supplied Synonyms

    1. 2,3-dihydrobenzothiazole

    2. 4433-52-7

    3. 2,3-dihydro-1,3-benzothiazole

    4. Benzothiazole, 2,3-dihydro-

    5. T7b4556d2a

    6. Nsc-81218

    7. Schembl26747

    8. Unii-t7b4556d2a

    9. Dtxsid30196142

    10. Wohlstowraomsg-uhfffaoysa-n

    11. Nsc81218

    12. Ccg-40423

    13. Nsc 81218

    14. Akos000282924

    15. Db-001017

    16. A845203

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 137.20 g/mol
    Molecular Formula C7H7NS
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area37.3
    Heavy Atom Count9
    Formal Charge0
    Complexity105
    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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