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    Chemistry

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    Also known as: 15088-78-5, 2-phenylacetic dithioperoxyanhydride, Bis(phenylacetyl) disulfide, Phenylacetyl disulphide, Bis(phenylacetyl) disulphide, S-(2-phenylacetyl)sulfanyl 2-phenylethanethioate
    Molecular Formula
    C16H14O2S2
    Molecular Weight
    302.4  g/mol
    InChI Key
    IXGZXXBJSZISOO-UHFFFAOYSA-N
    Phenylacetyl Disulfide
    1 2D Structure

    Phenylacetyl Disulfide

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    S-(2-phenylacetyl)sulfanyl 2-phenylethanethioate
    2.1.2 InChI
    InChI=1S/C16H14O2S2/c17-15(11-13-7-3-1-4-8-13)19-20-16(18)12-14-9-5-2-6-10-14/h1-10H,11-12H2
    2.1.3 InChI Key
    IXGZXXBJSZISOO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)CC(=O)SSC(=O)CC2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 15088-78-5

    2. 2-phenylacetic Dithioperoxyanhydride

    3. Bis(phenylacetyl) Disulfide

    4. Phenylacetyl Disulphide

    5. Bis(phenylacetyl) Disulphide

    6. S-(2-phenylacetyl)sulfanyl 2-phenylethanethioate

    7. Bis(phenylacetyl) Persulfide

    8. Disulfide, Bis(phenylacetyl)

    9. Cbdive_012388

    10. Phenylacetyl Disulfide, 96%

    11. Schembl200592

    12. Chembl4646844

    13. Zinc4352620

    14. Mfcd00513572

    15. Akos015889648

    16. Ds-6359

    17. Ac-26787

    18. Db-022679

    19. B3623

    20. Cs-0044811

    21. Ft-0601957

    22. D70385

    23. 088p785

    24. A809085

    25. J-008754

    2.3 Create Date
    2005-09-07
    3 Chemical and Physical Properties
    Molecular Weight 302.4 g/mol
    Molecular Formula C16H14O2S2
    XLogP33.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count7
    Exact Mass302.04352203 g/mol
    Monoisotopic Mass302.04352203 g/mol
    Topological Polar Surface Area84.7 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity286
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    25-Feb-2021
    28-Sep-2023
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