chempirical

2-Methylsulfanylphenylboronic acid

C7H9BO2SCAS 168618-42-6168.02 g/mol

Open in Covalent MOL file
SBHOOH
Boronic acidSulfide

Properties

Molecular formula
C7H9BO2S
Molar mass
168.02 g/mol
Exact mass
168.0416 Da
logP
0.09Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
168618-42-6
SMILES
CSc1ccccc1B(O)O
InChIKey
QXBWTYBCNFKURT-UHFFFAOYSA-N
InChI
InChI=1S/C7H9BO2S/c1-11-7-5-3-2-4-6(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

5 names
  • Boronic acid, B-[2-(methylthio)phenyl]-
  • Boronic acid, [2-(methylthio)phenyl]-
  • B-[2-(Methylthio)phenyl]boronic acid
  • [2-(Methylthio)phenyl]boronic acid
  • 2-(Methylthio)benzeneboronic acid

Work with 2-Methylsulfanylphenylboronic 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

Thianthrene-1-boronic acid108847-76-350 % similar 2-(Methylthio)phenol1073-29-648 % similar 2-Methylphenylboronic acid16419-60-648 % similar 2-Bromothioanisole19614-16-545 % similar 2-Methoxyphenylboronic acid5720-06-944 % similar 2-(Methylthio)aniline2987-53-343 % similar B-(2-Aminophenyl)boronic acid5570-18-343 % similar B-4-Phenoxathiinylboronic acid100124-07-043 % similar

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

Same formula

3-(Methylthio)benzeneboronic acid128312-11-8 4-(Methylthio)phenylboronic acid98546-51-1

Elsewhere

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