chempirical

(6-Phenyldibenzo[B,D]thiophen-4-yl)boronic acid

C18H13BO2SCAS 1115640-18-0304.17 g/mol

Open in Covalent MOL file
BSHOOH
Boronic acid

Properties

Molecular formula
C18H13BO2S
Molar mass
304.17 g/mol
Exact mass
304.0729 Da
logP
3.40Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
1115640-18-0
SMILES
B(C1=C2C(=CC=C1)C3=C(S2)C(=CC=C3)C4=CC=CC=C4)(O)O
InChIKey
CERRROIEYSGXNN-UHFFFAOYSA-N
InChI
InChI=1S/C18H13BO2S/c20-19(21)16-11-5-10-15-14-9-4-8-13(17(14)22-18(15)16)12-6-2-1-3-7-12/h1-11,20-21H

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

Work with (6-Phenyldibenzo[B,D]thiophen-4-yl)boronic 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

4-Dibenzothiopheneboronic acid108847-20-761 % similar B-(6-Phenyl-4-dibenzofuranyl)boronic acid1010068-85-555 % similar 1-Naphthylboronic acid13922-41-344 % similar 4-(3-Bromophenyl)dibenzo[b,d]thiophene1084334-28-040 % similar 1-Phenylnaphthalene605-02-739 % similar B-1-Dibenzofuranylboronic acid162607-19-438 % similar (1-Benzothiophen-3-yl)boronic acid113893-08-638 % similar Thianthrene-1-boronic acid108847-76-337 % similar

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

Same formula

(3-(Dibenzo[b,d]thiophen-4-yl)phenyl)boronic acid1307859-67-1

Elsewhere

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