Cas no 28519-04-2 (p-Cresolsulphonic acid)

p-Cresolsulphonic acid structure
p-Cresolsulphonic acid structure
Product Name:p-Cresolsulphonic acid
CAS No:28519-04-2
MF:C7H8O4S
MW:188.201021194458
CID:53339
PubChem ID:407461
Update Time:2025-04-18

p-Cresolsulphonic acid Chemical and Physical Properties

Names and Identifiers

    • p-Cresolsulphonic acid
    • 2-hydroxy-5-methylbenzenesulfonic acid
    • UNII-NXK474P32D
    • p-Kresol-o-sulfosaure
    • 28519-04-2
    • NS00048475
    • 2-hydroxy-5-methylbenzene-1-sulfonicacid
    • DTXSID60951206
    • NXK474P32D
    • EINECS 249-064-3
    • 7134-06-7
    • SCHEMBL1270768
    • Z1513803805
    • m-Toluenesulfonic acid, 6-hydroxy-
    • Benzenesulfonic acid, 2-hydroxy-5-methyl-
    • AKOS033816307
    • 2-hydroxy-5-methylbenzene-1-sulfonic acid
    • Q27285095
    • p-Cresol-2-sulfonic acid
    • EN300-118732
    • Inchi: 1S/C7H8O4S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4,8H,1H3,(H,9,10,11)
    • InChI Key: AXZKCQSGDARVRL-UHFFFAOYSA-N
    • SMILES: S(C1C(=CC=C(C)C=1)O)(=O)(=O)O

Computed Properties

  • Exact Mass: 188.01400
  • Monoisotopic Mass: 188.01432991g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 241
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 83?2

Experimental Properties

  • PSA: 82.98000
  • LogP: 2.02810

p-Cresolsulphonic acid Related Literature

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