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    BUILDING BLOCK

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    Chemistry

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    Also known as: 1019453-85-0, 2-[(2,4-dimethylphenyl)sulfanyl]aniline, 2-(2,4-dimethylphenyl)sulfanylaniline, 2-((2,4-dimethylphenyl)thio)phenylamine, 2-(2,4-dimethylphenylthio)benzenamine, Benzenamine, 2-[(2,4-dimethylphenyl)thio]-
    Molecular Formula
    C14H15NS
    Molecular Weight
    229.34  g/mol
    InChI Key
    BJHMYQKFVFJZDC-UHFFFAOYSA-N
    CAS 1019453-85-0
    1 2D Structure

    CAS 1019453-85-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(2,4-dimethylphenyl)sulfanylaniline
    2.1.2 InChI
    InChI=1S/C14H15NS/c1-10-7-8-13(11(2)9-10)16-14-6-4-3-5-12(14)15/h3-9H,15H2,1-2H3
    2.1.3 InChI Key
    BJHMYQKFVFJZDC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(C=C1)SC2=CC=CC=C2N)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1019453-85-0

    2. 2-[(2,4-dimethylphenyl)sulfanyl]aniline

    3. 2-(2,4-dimethylphenyl)sulfanylaniline

    4. 2-((2,4-dimethylphenyl)thio)phenylamine

    5. 2-(2,4-dimethylphenylthio)benzenamine

    6. Benzenamine, 2-[(2,4-dimethylphenyl)thio]-

    7. Schembl14723181

    8. Dtxsid10651401

    9. 2-(2,4-dimethylphenylthio)aniline

    10. Mfcd11132336

    11. Akos000215256

    12. Ds-12247

    13. Cs-0153314

    14. Ft-0700813

    15. J3.556.218d

    16. En300-6497671

    17. A910226

    18. Z330803132

    2.3 Create Date
    2009-05-28
    3 Chemical and Physical Properties
    Molecular Weight 229.34 g/mol
    Molecular Formula C14H15NS
    XLogP34
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area51.3
    Heavy Atom Count16
    Formal Charge0
    Complexity219
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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