chempirical

2-Naphthol-6-sulfonic acid

C10H8O4SCAS 93-01-6224.23 g/mol

Open in Covalent MOL file
OSOOHOH
PhenolSulfonic acid

Properties

Molecular formula
C10H8O4S
Molar mass
224.23 g/mol
Exact mass
224.0143 Da
Melting point
125 °C
logP
1.79Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
93-01-6
SMILES
O=S(=O)(O)c1ccc2cc(O)ccc2c1
InChIKey
VVPHSMHEYVOVLH-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O4S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6,11H,(H,12,13,14)

Weigh it out

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

Names and synonyms

11 names
  • 2-Naphthalenesulfonic acid, 6-hydroxy-
  • 6-Hydroxy-2-naphthalenesulfonic acid
  • β-Naphtholsulfonic acid S
  • β-Naphthol-6-sulfonic acid
  • Schaeffer's acid
  • Schaeffer's β-acid
  • Schaeffer's β-naphtholsulfonic acid
  • 2-Hydroxy-6-naphthalenesulfonic acid
  • Schaffer's acid
  • NSC 5871
  • 2-Hydroxy-naphthalene-6-sulphonic acid

Work with 2-Naphthol-6-sulfonic 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

2,6-Naphthalenedisulfonic acid581-75-977 % similar 2,7-Naphthalenedisulfonic acid92-41-168 % similar Naphthalene-2-sulfonic acid120-18-367 % similar 4-Hydroxybenzenesulfonic acid98-67-964 % similar 6-Amino-2-naphthalenesulfonic acid93-00-561 % similar 1-Naphthol-3,6-disulfonic acid578-85-859 % similar Sodium 6-hydroxy-2-naphthalenesulfonate135-76-257 % similar 2-Hydroxynaphthalene-6-sulfonic acid potassium salt833-66-956 % similar

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

Same formula

1-Naphthol-8-sulfonic acid117-22-6 L Acid117-59-9 1-Naphthol-4-sulfonic acid84-87-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook