Woodward'S reagent K

C₁₁H₁₁NO₄SCAS 4156-16-5253.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₁NO₄S
Molar mass: 253.27 g/mol
Exact mass: 253.0409 Da
Melting point: 207 °C (decomposes)
logP: 1.95Crippen estimate
Polar surface area: 73.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

4156-16-5

SMILES

CCn1ccc(-c2cccc(S(=O)(=O)[O-])c2)[o+]1

InChIKey

MWOOKDULMBMMPN-UHFFFAOYSA-N

InChI

InChI=1S/C11H11NO4S/c1-2-12-7-6-11(16-12)9-4-3-5-10(8-9)17(13,14)15/h3-8H,2H2,1H3

Weigh it out

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

Names and synonyms

7 names

Isoxazolium, 2-ethyl-5-(3-sulfophenyl)-, inner salt
Isoxazolium, 2-ethyl-5-(m-sulfophenyl)-, hydroxide, inner salt
Isoxazolium, 2-ethyl-5-(3-sulfophenyl)-, hydroxide, inner salt
2-Ethyl-5-(m-sulfophenyl)isoxazolium hydroxide, inner salt
N-Ethyl-5-phenylisoxazolium-3′-sulfonate
Reagents, woodward's K
NSC 82643

Work with Woodward'S reagent K

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 m-benzenedisulfonate831-59-443 % similar Sodium m-aminobenzenesulfonate1126-34-738 % similar Tppts63995-70-038 % similar Potassium diphenyl sulfone-3-sulfonate63316-43-836 % similar Nitrol S127-68-435 % similar Disodium 1,6-naphthalenedisulfonate1655-43-235 % similar Sodium benzenesulfonate515-42-434 % similar Metanil yellow587-98-433 % similar

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

Same formula

Actinoquinol15301-40-3 Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate205873-28-5 N-Methyl J acid22346-43-6

Elsewhere

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