chempirical

2-Sulfobenzoic acid cyclic anhydride

C7H4O4SCAS 81-08-3184.17 g/mol

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Sulfonate ester

Properties

Molecular formula
C7H4O4S
Molar mass
184.17 g/mol
Exact mass
183.9830 Da
Melting point
129.5 °C
logP
0.55Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Identifiers

CAS number
81-08-3
SMILES
O=C1OS(=O)(=O)c2ccccc21
InChIKey
NCYNKWQXFADUOZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4O4S/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4H

Weigh it out

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

Names and synonyms

11 names
  • 3H-2,1-Benzoxathiol-3-one, 1,1-dioxide
  • Benzoic acid, o-sulfo-, cyclic anhydride
  • o-Sulfobenzoic acid, cyclic anhydride
  • Benzoic acid, 2-sulfo-, cyclic anhydride
  • o-Sulfobenzoic anhydride
  • o-Sulfobenzoic acid anhydride
  • 2-Sulfobenzoic anhydride
  • 2-Sulfobenzoic acid cycloanhydride
  • NSC 11208
  • NSC 49162
  • 1,3-Dihydro-2,1λ6-benzoxathiole-1,1,3-trione

Reactions

Work with 2-Sulfobenzoic acid cyclic anhydride

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

Methyl o-(chlorosulfonyl)benzoate26638-43-747 % similar Methyl 2-(aminosulfonyl)benzoate57683-71-347 % similar Phthalic anhydride85-44-945 % similar Ethyl 2-(aminosulfonyl)benzoate59777-72-944 % similar Dimethyl phthalate131-11-341 % similar 2-Sulfobenzoic acid632-25-741 % similar Diphenyl phthalate84-62-839 % similar Ammonium o-carboxybenzenesulfonate6939-89-538 % similar

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

Elsewhere

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