chempirical

2,7-Naphthalenedisulfonic acid

C10H8O6S2CAS 92-41-1288.29 g/mol

Open in Covalent MOL file
OSOOHSOOHO
Sulfonic acid

Properties

Molecular formula
C10H8O6S2
Molar mass
288.29 g/mol
Exact mass
287.9762 Da
Melting point
199 °C
logP
1.33Crippen estimate
Polar surface area
108.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
92-41-1
SMILES
O=S(=O)(O)c1ccc2ccc(S(=O)(=O)O)cc2c1
InChIKey
VILFVXYKHXVYAB-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9/h1-6H,(H,11,12,13)(H,14,15,16)

Weigh it out

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

Names and synonyms

4 names
  • Naphthalene-2,7-disulfonic acid
  • 2,7-Disulfonaphthalene
  • NSC 65895
  • NSC 9589

Work with 2,7-Naphthalenedisulfonic 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

Naphthalene-2-sulfonic acid120-18-380 % similar 2-Naphthol-6-sulfonic acid93-01-668 % similar 6-Amino-2-naphthalenesulfonic acid93-00-566 % similar 1-Naphthol-3,6-disulfonic acid578-85-858 % similar [1,1′-Biphenyl]-4,4′-disulfonic acid5314-37-456 % similar 3,4-Diaminobenzenesulfonic acid7474-78-455 % similar 8-Amino-2-naphthalenesulfonic acid119-28-853 % similar 5-Amino-2-naphthalenesulfonic acid119-79-953 % similar

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

Same formula

2,6-Naphthalenedisulfonic acid581-75-9 Armstrong'S acid81-04-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook