4-(Methanesulfinyl)benzeneboronic acid

C₇H₉BO₃SCAS 166386-48-7184.02 g/mol

Open in Covalent MOL file

Boronic acid Sulfoxide

Properties

Molecular formula: C₇H₉BO₃S
Molar mass: 184.02 g/mol
Exact mass: 184.0365 Da
logP: -0.90Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

166386-48-7

SMILES

B(C1=CC=C(C=C1)S(=O)C)(O)O

InChIKey

YOTGALZTDVXUKZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H9BO3S/c1-12(11)7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3

Weigh it out

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

Names and synonyms

1 names

(4-(Methylsulfinyl)phenyl)boronic acid

Work with 4-(Methanesulfinyl)benzeneboronic 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

P-Tolylboronic acid5720-05-845 % similar (4-Hydroxyphenyl)boronic acid71597-85-841 % similar 4-Acetylphenylboronic acid149104-90-541 % similar 4-tert-Butylphenylboronic acid123324-71-041 % similar [4-(Trimethylsilyl)phenyl]boronic acid17865-11-141 % similar 4-(Dimethylamino)phenylboronic acid28611-39-441 % similar (4-Methoxyphenyl)boronic acid5720-07-041 % similar (4-Ethylphenyl)boronic acid63139-21-941 % similar

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

Elsewhere

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