chempirical

5-Sulfosalicylic acid

C7H6O6SCAS 97-05-2218.18 g/mol

Open in Covalent MOL file
OHOSOOHOHO
Carboxylic acidPhenolSulfonic acid

Properties

Molecular formula
C7H6O6S
Molar mass
218.18 g/mol
Exact mass
217.9885 Da
Melting point
120 °C
logP
0.34Crippen estimate
Polar surface area
111.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2

Identifiers

CAS number
97-05-2
SMILES
O=C(O)c1cc(S(=O)(=O)O)ccc1O
InChIKey
YCPXWRQRBFJBPZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)

Weigh it out

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

Names and synonyms

14 names · show all
  • Benzoic acid, 2-hydroxy-5-sulfo-
  • Salicylic acid, 5-sulfo-
  • 2-Hydroxy-5-sulfobenzoic acid
  • 3-Carboxy-4-hydroxybenzenesulfonic acid
  • Sulfosalicylic acid
  • Salicylsulfonic acid
  • Sulphosalicylic acid
  • 5-Sulphosalicylic acid
  • SSA
  • 5-(Hydroxysulfonyl)salicylic acid
  • NSC 190565
  • NSC 4741
  • 5-Sulfosalicyclic acid
  • FD

Work with 5-Sulfosalicylic 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

4-Sulfophthalic acid89-08-774 % similar 5-Sulfoanthranilic acid3577-63-766 % similar Gentisic acid490-79-956 % similar 4-Hydroxyisophthalic acid636-46-456 % similar 3-Amino-2-hydroxy-5-sulfobenzoic acid6201-86-155 % similar 5-Iodosalicylic acid119-30-253 % similar 5,5′-Methylenedisalicylic acid122-25-853 % similar Olsalazine15722-48-253 % similar

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

Elsewhere

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