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    25984-63-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 25984-63-8, 4-hydroxybenzothioamide, 4-hydroxy thiobenzamide, 4-hydroxybenzenecarbothioamide, Benzenecarbothioamide, 4-hydroxy-, 4-hydroxybenzene-1-carbothioamide
    Molecular Formula
    C7H7NOS
    Molecular Weight
    153.20  g/mol
    InChI Key
    VDTNKXSVUGXUOJ-UHFFFAOYSA-N
    FDA UNII
    ZZ8JR2736Y
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-hydroxybenzenecarbothioamide
    2.1.2 InChI
    InChI=1S/C7H7NOS/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)
    2.1.3 InChI Key
    VDTNKXSVUGXUOJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C(=S)N)O
    2.2 Other Identifiers
    2.2.1 UNII
    ZZ8JR2736Y
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 25984-63-8

    2. 4-hydroxybenzothioamide

    3. 4-hydroxy Thiobenzamide

    4. 4-hydroxybenzenecarbothioamide

    5. Benzenecarbothioamide, 4-hydroxy-

    6. 4-hydroxybenzene-1-carbothioamide

    7. Zz8jr2736y

    8. Mfcd04973332

    9. P-hydroxythiobenzamide

    10. 4-hydroxy-thiobenzamide

    11. 4-hydroxythio-benzamide

    12. Unii-zz8jr2736y

    13. Schembl469734

    14. Chembl2441358

    15. Dtxsid40420703

    16. Vdtnkxsvugxuoj-uhfffaoysa-n

    17. Hms1728o12

    18. 4-hydroxythiobenzamide, Aldrichcpr

    19. Bcp12826

    20. Bbl010014

    21. Stk801400

    22. Akos000200442

    23. Ab21285

    24. Ac-5907

    25. Cs-w018071

    26. Gs-3132

    27. Sy030992

    28. A5174

    29. Am20090771

    30. Ft-0600967

    31. H1308

    32. En300-13412

    33. A818133

    34. J-515515

    35. Z90124534

    36. 4-[amino(mercapto)methylidene]-1-cyclohexa-2,5-dienone

    37. 4-[azanyl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 153.20 g/mol
    Molecular Formula C7H7NOS
    XLogP31.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area78.3
    Heavy Atom Count10
    Formal Charge0
    Complexity130
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1