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S-(4,4,5,5,5-Pentafluoropentyl)isothiourea Methanesulfonate CAS 1107606-68-7

S-(4,4,5,5,5-Pentafluoropentyl)isothiourea Methanesulfonate CAS 1107606-68-7

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  • Identification
  • Properties
  • Safety Data
  • Specifications & Other Information
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    • Identification

    CAS Number

    1107606-68-7

    Name

    S-(4,4,5,5,5-Pentafluoropentyl)isothiourea Methanesulfonate

    Synonyms

    1107606-68-7 [RN]
    32137045 [Beilstein]
    4,4,5,5,5-Pentafluoropentyl carbamimidothioate [ACD/IUPAC Name]
    4,4,5,5,5-Pentafluoropentyl carbamimidothioate methanesulfonate [ACD/IUPAC Name]
    4,4,5,5,5-Pentafluoropentyl carbamimidothioate methanesulfonate (1:1) [ACD/IUPAC Name]
    Acide méthanesulfonique – carbamimidothioate de 4,4,5,5,5-pentafluoropentyle (1:1) [French] [ACD/IUPAC Name]
    Carbamimidothioic acid, 4,4,5,5,5-pentafluoropentyl ester, methanesulfonate (1:1) [ACD/Index Name]
    Methanesulfonic acid [ACD/Index Name] [ACD/IUPAC Name] [Wiki]
    Methansulfonsäure –4,4,5,5,5-pentafluorpentylcarbamimidothioat (1:1) [German] [ACD/IUPAC Name]
    MUYZS3XFFXFFF &&MeSO3H [WLN]
    MFCD22423109 [MDL number]

    SMILES

    CS(=O)(=O)O.C(CC(C(F)(F)F)(F)F)CSC(=N)N

    StdInChI

    InChI=1S/C6H9F5N2S.CH4O3S/c7-5(8,6(9,10)11)2-1-3-14-4(12)13;1-5(2,3)4/h1-3H2,(H3,12,13);1H3,(H,2,3,4)

    StdInChIKey

    GUWMKWXFPKCYQI-UHFFFAOYSA-N

    Molecular Formula

    C7H13F5N2O3S2

    Molecular Weight

    332.312

    Beilstein Registry Number

    32137045

    MDL Number

    MFCD22423109

    Properties

    Appearance

    White powder

    Safety Data

    Symbol

    exclamation-mark-jpgGHS07

    Signal Word

    Warning

    Hazard statements

    H302, H315, H319, H335

    Precautionary Statements

    P261, P271, P280, P302, P304, P305, P313, P332, P337, P338, P340, P351, P352

    RIDADR 

    NONH for all modes of transport

    WGK Germany

    3

    Specifications and Other Information of Our S-(4,4,5,5,5-Pentafluoropentyl)isothiourea Methanesulfonate CAS

    Identification Methods

    HNMR, HPLC

    Purity

    98% min

    Shelf Life

    2 years

    Storage

    Under room temperature away from light

    Known Application

    Commonly used as an intermediate for the estrogen receptor antagonist fulvestrant.

    This product is developed by our R&D company Watson International Ltd (https://www.watson-int.com/).