chempirical

4-Hydroxybenzenesulfonic acid

C6H6O4SCAS 98-67-9174.17 g/mol

Open in Covalent MOL file
OSOOHOH
PhenolSulfonic acid

Properties

Molecular formula
C6H6O4S
Molar mass
174.17 g/mol
Exact mass
173.9987 Da
Density
1.34 g/mL
Melting point
52 °C
logP
0.64Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
98-67-9
SMILES
O=S(=O)(O)c1ccc(O)cc1
InChIKey
FEPBITJSIHRMRT-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • Benzenesulfonic acid, 4-hydroxy-
  • Benzenesulfonic acid, p-hydroxy-
  • p-Hydroxybenzenesulfonic acid
  • p-Phenolsulfonic acid
  • 4-Phenolsulfonic acid
  • p-Sulfophenol
  • 4-Hydroxyphenylsulfonic acid
  • NSC 227908

Work with 4-Hydroxybenzenesulfonic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

[1,1′-Biphenyl]-4,4′-disulfonic acid5314-37-465 % similar 2-Naphthol-6-sulfonic acid93-01-664 % similar Bisphenol S80-09-158 % similar Benzenesulfonic acid98-11-358 % similar P-Toluenesulfonic acid104-15-458 % similar Sulfanilic acid121-57-358 % similar 4-Iodobenzenesulphonic acid13035-63-758 % similar 4-Fluorobenzenesulfonic acid368-88-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

S-Acetylmercaptosuccinic anhydride6953-60-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook