chempirical

Sodium 1-naphthalenesulfonate

C10H7NaO3SCAS 130-14-3230.21 g/mol

Open in Covalent MOL file
O−SOONa+
Sulfonic acid

Properties

Molecular formula
C10H7NaO3S
Molar mass
230.21 g/mol
Exact mass
230.0014 Da
Melting point
below 300 °C
logP
1.71Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
130-14-3
SMILES
[O-]S(=O)(=O)c1cccc2ccccc12.[Na+]
InChIKey
CRVVHBFLWWQMPT-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O3S.Na/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);

Weigh it out

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

Names and synonyms

8 names
  • 1-Naphthalenesulfonic acid, sodium salt (1:1)
  • 1-Naphthalenesulfonic acid, sodium salt
  • Alpha salt
  • α-Naphthalenesulfonic acid sodium salt
  • Sodium α-naphthalenesulfonate
  • Sodium α-naphthalenesulfonic acid
  • Sodium α-naphthylsulfonate
  • Sodium 1-naphthylsulfonate

Work with Sodium 1-naphthalenesulfonate

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

Disodium 1,5-naphthalenedisulfonate1655-29-478 % similar Disodium 1,6-naphthalenedisulfonate1655-43-268 % similar Sodium 5-hydroxy-1-naphthalenesulfonate5419-77-262 % similar Sodium naphthionate130-13-257 % similar Sodium 1-naphthol-4-sulfonate6099-57-657 % similar Sodium O-phenolsulfonate1300-51-255 % similar Potassium 1-naphthol-2-sulfonate832-49-553 % similar 1-Naphthalenesulfonyl chloride85-46-152 % similar

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

Same formula

Sodium 2-naphthalenesulfonate532-02-5

Elsewhere

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