chempirical

4-Dibenzothiopheneboronic acid

C12H9BO2SCAS 108847-20-7228.07 g/mol

Open in Covalent MOL file
BSOHHO
Boronic acid

Properties

Molecular formula
C12H9BO2S
Molar mass
228.07 g/mol
Exact mass
228.0416 Da
logP
1.73Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
108847-20-7
SMILES
B(C1=C2C(=CC=C1)C3=CC=CC=C3S2)(O)O
InChIKey
GOXNHPQCCUVWRO-UHFFFAOYSA-N
InChI
InChI=1S/C12H9BO2S/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7,14-15H

Weigh it out

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

Names and synonyms

1 names
  • Dibenzothiophene-4-boronic acid

Work with 4-Dibenzothiopheneboronic 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

(6-Phenyldibenzo[B,D]thiophen-4-yl)boronic acid1115640-18-061 % similar (3-(Dibenzo[b,d]thiophen-4-yl)phenyl)boronic acid1307859-67-155 % similar 4-Bromodibenzothiophene97511-05-253 % similar (1-Benzothiophen-3-yl)boronic acid113893-08-650 % similar 4-Iododibenzothiophene132034-89-050 % similar 1-Naphthylboronic acid13922-41-350 % similar Dibenzothiophene132-65-046 % similar Dibenzofuran-4-boronic acid100124-06-942 % similar

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

Elsewhere

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