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    CAS 160982-16-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 160982-16-1, (4s)-1,1-dioxide-6-chloro-3,4-dihydro-2h-thieno[3,2-e]-1,2-thiazin-4-ol, (4s)-6-chloro-1,1-dioxo-3,4-dihydro-2h-thieno[3,2-e]thiazin-4-ol, (s)-6-chloro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-thieno[3,2-e][1,2]thiazin-4-ol, (s)-3,4-dihydro-6-chloro-4-hydroxy-2h-thieno[3,2-e]-1,2-thiazine-1,1-dioxide, Schembl3041948
    Molecular Formula
    C6H6ClNO3S2
    Molecular Weight
    239.7  g/mol
    InChI Key
    OFJGKGNJDCLNPM-SCSAIBSYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4S)-6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
    2.1.2 InChI
    InChI=1S/C6H6ClNO3S2/c7-5-1-3-4(9)2-8-13(10,11)6(3)12-5/h1,4,8-9H,2H2/t4-/m1/s1
    2.1.3 InChI Key
    OFJGKGNJDCLNPM-SCSAIBSYSA-N
    2.1.4 Canonical SMILES
    C1C(C2=C(SC(=C2)Cl)S(=O)(=O)N1)O
    2.1.5 Isomeric SMILES
    C1[C@H](C2=C(SC(=C2)Cl)S(=O)(=O)N1)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 160982-16-1

    2. (4s)-1,1-dioxide-6-chloro-3,4-dihydro-2h-thieno[3,2-e]-1,2-thiazin-4-ol

    3. (4s)-6-chloro-1,1-dioxo-3,4-dihydro-2h-thieno[3,2-e]thiazin-4-ol

    4. (s)-6-chloro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-thieno[3,2-e][1,2]thiazin-4-ol

    5. (s)-3,4-dihydro-6-chloro-4-hydroxy-2h-thieno[3,2-e]-1,2-thiazine-1,1-dioxide

    6. Schembl3041948

    7. Dtxsid50471786

    8. Mfcd09033311

    9. Zinc22002671

    10. Akos015897319

    11. 2h-thieno[3,2-e]-1,2-thiazin-4-ol, 6-chloro-3,4-dihydro-, 1,1-dioxide, (4s)-

    12. Ds-16381

    13. Cs-0157325

    14. A51043

    15. 982c161

    16. (s)-3,4-dihydro-6-chloro-4-hydroxy-2h-t

    17. (4-s)-6-chloro-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazin-4-ol 1,1-dioxide

    18. (s)-6-chloro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda6-thieno[3,2-e][1,2]thiazin-4-ol

    19. (s)-6-chloro-3,4-dihydro-4-hydroxy-2h-thieno[3,2-e]-1,2-thiazine 1,1-dioxide

    20. (s)-6-chloro-4-hydroxy-3,4-dihydro-2h-thieno-[3,2-e][1,2]thiazine 1,1-dioxide

    21. (s)-6-chloro-4-hydroxy-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine1,1-dioxide

    22. (4s)-6-chloro-4-hydroxy-3,4-dihydro-1lambda~6~-thieno[3,2-e][1,2]thiazine-1,1(2h)-dione

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 239.7 g/mol
    Molecular Formula C6H6ClNO3S2
    XLogP30.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count0
    Exact Mass238.9477631 g/mol
    Monoisotopic Mass238.9477631 g/mol
    Topological Polar Surface Area103 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity302
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1