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    CAS 138206-46-9 manufacturers and suppliers on PharmaCompass

    DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

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    Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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    xyz-pharma-m-2024-10-07

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    With Fermion, start the journey of your innovative API.

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    Bloomage is a one-stop source for CEP Sodium Hyaluronate and Hyaluronic Acid// FDA-inspected & GMP-certified.

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    xyz-pharma-m-2024-10-07

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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as:
    Molecular Formula
    C12H12N2OS
    Molecular Weight
    232.30  g/mol
    InChI Key
    MBUZHIHQQRWZON-FLIBITNWSA-N
    CAS 138206-46-9
    1 2D Structure

    CAS 138206-46-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(Z)-1-imidazol-1-yl-2-methylsulfanylethenyl]phenol
    2.1.2 InChI
    InChI=1S/C12H12N2OS/c1-16-8-11(14-7-6-13-9-14)10-4-2-3-5-12(10)15/h2-9,15H,1H3/b11-8-
    2.1.3 InChI Key
    MBUZHIHQQRWZON-FLIBITNWSA-N
    2.1.4 Canonical SMILES
    CSC=C(C1=CC=CC=C1O)N2C=CN=C2
    2.1.5 Isomeric SMILES
    CS/C=C(/C1=CC=CC=C1O)\N2C=CN=C2
    2.2 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 232.30 g/mol
    Molecular Formula C12H12N2OS
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area63.4
    Heavy Atom Count16
    Formal Charge0
    Complexity257
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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