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    Chemistry

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    Also known as: 951753-87-0, 5-isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrile, 5-isothiocyanato-3-(trifluoromethyl)-picolinonitrile, Mfcd18382742, Schembl908840, Amy36913
    Molecular Formula
    C8H2F3N3S
    Molecular Weight
    229.18  g/mol
    InChI Key
    NQNLQGJLAVDALO-UHFFFAOYSA-N
    CAS No 951753-87-0
    1 2D Structure

    CAS No 951753-87-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrile
    2.1.2 InChI
    InChI=1S/C8H2F3N3S/c9-8(10,11)6-1-5(14-4-15)3-13-7(6)2-12/h1,3H
    2.1.3 InChI Key
    NQNLQGJLAVDALO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=NC(=C1C(F)(F)F)C#N)N=C=S
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 951753-87-0

    2. 5-isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrile

    3. 5-isothiocyanato-3-(trifluoromethyl)-picolinonitrile

    4. Mfcd18382742

    5. Schembl908840

    6. Amy36913

    7. At17809

    8. Ac-31087

    9. As-84072

    10. Sy129080

    11. Db-203271

    12. (5-isothiocyanato-3-(trifluoromethyl)picolinonitrile)

    13. 2-cyano-5-(isothiocyanato)-3-(trifluoromethyl)pyridine

    14. 5-isothiocyanato-3-trifluoromethylpyridine-2-carbonitrile

    15. 5-isothiocyanato-3-(trifluoromethyl)-2-pyridinecarbonitrile

    2.3 Create Date
    2008-11-03
    3 Chemical and Physical Properties
    Molecular Weight 229.18 g/mol
    Molecular Formula C8H2F3N3S
    XLogP33.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area81.1
    Heavy Atom Count15
    Formal Charge0
    Complexity326
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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    SUPPLIERS

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    Sichuan Qingmu Pharmaceutical

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    Virtual BoothQingmu Pharma: Patients first, FDA/CEP/US-DMF/US-VMF/ASMF APIs for Humans & Vets in 100+ countries.

    5-amino-3-(trifluoromethyl)picolinonitrile

    CAS Number : 951753-87-0

    End Use API :

    End Use API : Apalutamide

    About the Company : Sichuan Qingmu Pharmaceutical Co., Ltd. is an innovation-driven pharmaceutical company focused on regulated markets. We specialize in the R&D and manufacturing of generic APIs and advan...

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    Shandong Boyuan Pharmaceutical

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    Virtual Booth Boost your online visibility by uploading your products, APIs, FDFs, intermediates, excipients, and services for free on PharmaCompass. Rank higher among suppliers and expand your reach across the internet efficiently and cost-effectively.

    5-isothiocyanato-3-(trifluoromethyl)picolinonitril...

    CAS Number : 951753-87-0

    End Use API :

    End Use API : Apalutamide

    About the Company : We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-q...

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