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    2314-48-9

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2314-48-9, Carbonotrithioic acid, dimethyl ester, Trithiocarbonic acid dimethyl ester, Dimethyl carbonotrithioate, Carbonic acid, trithio-, dimethyl ester, Dimethylester kyseliny trithiouhlicite
    Molecular Formula
    C3H6S3
    Molecular Weight
    138.3  g/mol
    InChI Key
    IQWMXKTYXNMSLC-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    bis(methylsulfanyl)methanethione
    2.1.2 InChI
    InChI=1S/C3H6S3/c1-5-3(4)6-2/h1-2H3
    2.1.3 InChI Key
    IQWMXKTYXNMSLC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CSC(=S)SC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2314-48-9

    2. Carbonotrithioic Acid, Dimethyl Ester

    3. Trithiocarbonic Acid Dimethyl Ester

    4. Dimethyl Carbonotrithioate

    5. Carbonic Acid, Trithio-, Dimethyl Ester

    6. Dimethylester Kyseliny Trithiouhlicite

    7. Bis(methylsulfanyl)methanethione

    8. Brn 1421113

    9. Dimethylester Kyseliny Trithiouhlicite [czech]

    10. Starbld0016586

    11. (ch3s)2cs

    12. Schembl256003

    13. Dimethyl Trithiocarbonate, 98%

    14. Bis(methylsulfanyl)-methanethione

    15. Dtxsid90177710

    16. Zinc2038699

    17. Akos015898867

    18. Db-046087

    19. Ft-0601908

    20. J-015005

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 138.3 g/mol
    Molecular Formula C3H6S3
    XLogP32.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass137.96316371 g/mol
    Monoisotopic Mass137.96316371 g/mol
    Topological Polar Surface Area82.7 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity44
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1