chempirical

Naphthalene-1-sulfonic acid

C10H8O3SCAS 85-47-2208.23 g/mol

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Sulfonic acid

Properties

Molecular formula
C10H8O3S
Molar mass
208.23 g/mol
Exact mass
208.0194 Da
Melting point
140 °C
logP
2.09Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
85-47-2
SMILES
O=S(=O)(O)c1cccc2ccccc12
InChIKey
PSZYNBSKGUBXEH-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O3S/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

5 names
  • 1-Naphthalenesulfonic acid
  • α-Naphthalenesulfonic acid
  • HT 907
  • 1-Sulfonaphthalene
  • 1-Naphthylsulfonic acid

Work with Naphthalene-1-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

Armstrong'S acid81-04-976 % similar 1,5-Naphthalenedisulfonic acid, hydrate (1:4)211366-30-268 % similar 5-Isoquinolinesulfonic acid27655-40-964 % similar D Acid81-05-062 % similar L Acid117-59-961 % similar Laurent acid84-89-959 % similar 1,3,5-Naphthalenetrisulfonic acid6654-64-458 % similar 1-Naphthol-4-sulfonic acid84-87-756 % similar

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

Same formula

Naphthalene-2-sulfonic acid120-18-3

Elsewhere

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