chempirical

Naphthalene-2-sulfonic acid

C10H8O3SCAS 120-18-3208.23 g/mol

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OSOOH
Sulfonic acid

Properties

Molecular formula
C10H8O3S
Molar mass
208.23 g/mol
Exact mass
208.0194 Da
Melting point
91 °C
logP
2.09Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
120-18-3
SMILES
O=S(=O)(O)c1ccc2ccccc2c1
InChIKey
KVBGVZZKJNLNJU-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)

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Names and synonyms

6 names
  • 2-Naphthalenesulfonic acid
  • β-Naphthalenesulfonic acid
  • β-Naphthylsulfonic acid
  • 2-Naphthylsulfonic acid
  • 2-Sulfonaphthalene
  • Dirinal NSK

Work with Naphthalene-2-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 acid581-75-983 % similar 2,7-Naphthalenedisulfonic acid92-41-180 % similar 2-Naphthol-6-sulfonic acid93-01-667 % similar 6-Amino-2-naphthalenesulfonic acid93-00-565 % similar 8-Amino-2-naphthalenesulfonic acid119-28-857 % similar 5-Amino-2-naphthalenesulfonic acid119-79-957 % similar Benzenesulfonic acid98-11-356 % similar 2-Naphthalenesulfonyl chloride93-11-855 % similar

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

Same formula

Naphthalene-1-sulfonic acid85-47-2

Elsewhere

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