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    4-(Methylthio)phenol

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    2D Structure
    Also known as: 1073-72-9, 4-(methylmercapto)phenol, Phenol, 4-(methylthio)-, 4-hydroxythioanisole, P-(methylthio)phenol, 4-methylmercaptophenol
    Molecular Formula
    C7H8OS
    Molecular Weight
    140.20  g/mol
    InChI Key
    QASBCTGZKABPKX-UHFFFAOYSA-N
    FDA UNII
    9T83QI0Z1L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-methylsulfanylphenol
    2.1.2 InChI
    InChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
    2.1.3 InChI Key
    QASBCTGZKABPKX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CSC1=CC=C(C=C1)O
    2.2 Other Identifiers
    2.2.1 UNII
    9T83QI0Z1L
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-(methylmercapto)phenol

    2. 4-(methylthio)phenol, Sodium Salt

    2.3.2 Depositor-Supplied Synonyms

    1. 1073-72-9

    2. 4-(methylmercapto)phenol

    3. Phenol, 4-(methylthio)-

    4. 4-hydroxythioanisole

    5. P-(methylthio)phenol

    6. 4-methylmercaptophenol

    7. 4-methylsulfanylphenol

    8. P-hydroxythioanisole

    9. Phenol, P-(methylthio)-

    10. 4-(methylsulfanyl)phenol

    11. P-hydroxyphenyl Methyl Sulfide

    12. 4-hydroxyphenyl Methyl Sulfide

    13. Nsc 75840

    14. P-methyl Thiophenol

    15. Methyl 4-hydroxyphenyl Sulfide

    16. Phenol, P-methylmercapto-

    17. 9t83qi0z1l

    18. Nsc-75840

    19. Ccris 5837

    20. Einecs 214-031-4

    21. Brn 2041507

    22. Unii-9t83qi0z1l

    23. Ai3-28073

    24. Nsc75840

    25. 4-(methylthio) Phenol

    26. 4-methylmercapto-phenol

    27. 4-methylsulfanyl Phenol

    28. 4-methylsulfanyl-phenol

    29. Para-(methylthio)phenol

    30. 4-(methylsulfanyl)phenol #

    31. Schembl275952

    32. 4-(methylsulfenyl)phenol

    33. Dtxsid3051547

    34. Methylmercaptophenol, 4-

    35. 4-(methylmercapto)phenol, 98%

    36. Chebi:38862

    37. Zinc404129

    38. Bbl104214

    39. Mfcd00002351

    40. Stl388046

    41. Akos000121186

    42. Cs-w001072

    43. Ac-10935

    44. Bp-12495

    45. Ms-20081

    46. Db-040752

    47. Ft-0616822

    48. M0441

    49. H10762

    50. J-513779

    51. Q27118001

    52. 1-hydroxy,4-methylthio-benzene (4-methylthio-phenol)

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 140.20 g/mol
    Molecular Formula C7H8OS
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass140.02958605 g/mol
    Monoisotopic Mass140.02958605 g/mol
    Topological Polar Surface Area45.5 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity77
    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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