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    CAS 179337-57-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 179337-57-6, 3-azetidinethiol, 1-(4,5-dihydro-2-thiazolyl)-, monohydrochloride, 1-(4,5-dihydro-2-thiazolyl)-3-azetidinethiol hydrochloride, 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-3-thiol;hydrochloride, 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol;chloride, 1-(4,5-dihydro-2-thiazolyl)-3-azetidinethiol hcl
    Molecular Formula
    C6H11ClN2S2
    Molecular Weight
    210.8  g/mol
    InChI Key
    WLQPQHGYHHHITD-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-3-thiol;hydrochloride
    2.1.2 InChI
    InChI=1S/C6H10N2S2.ClH/c9-5-3-8(4-5)6-7-1-2-10-6;/h5,9H,1-4H2;1H
    2.1.3 InChI Key
    WLQPQHGYHHHITD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CSC(=N1)N2CC(C2)S.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 179337-57-6

    2. 3-azetidinethiol, 1-(4,5-dihydro-2-thiazolyl)-, Monohydrochloride

    3. 1-(4,5-dihydro-2-thiazolyl)-3-azetidinethiol Hydrochloride

    4. 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-3-thiol;hydrochloride

    5. 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol;chloride

    6. 1-(4,5-dihydro-2-thiazolyl)-3-azetidinethiol Hcl

    7. Tebipenem Impurity 2

    8. Schembl7818495

    9. Dtxsid30475000

    10. 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-3-thiol,hydrochloride

    11. Amy40567

    12. Mfcd18072489

    13. Akos016003162

    14. Ds-3684

    15. Sb67390

    16. Ac-26984

    17. Db-065267

    18. Cs-0068888

    19. Ft-0697053

    20. 3-mercapto-1-(1,3-thiazolin-2-yl)azetidine Hcl

    21. 1-(4,5-dihydrothiazol-2-yl)azetidine-3-thiol Hcl

    22. 1-(4,5-dihydrothiazol-2-yl)azetidine-3-thiolhydrochloride

    23. 3-mercapto-1-(1,3-thiazolin-2-yl)azetidine Hydrochloride

    24. 3-azetidinethiol, 1-(4,5-dihydro-2-thiazolyl)-, Hydrochloride (1:1)

    25. 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-3-thiol--hydrogen Chloride (1/1)

    2.3 Create Date
    2007-01-03
    3 Chemical and Physical Properties
    Molecular Weight 210.8 g/mol
    Molecular Formula C6H11ClN2S2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass210.0052184 g/mol
    Monoisotopic Mass210.0052184 g/mol
    Topological Polar Surface Area41.9 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity163
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2