chempirical

4-Bromodibenzothiophene

C12H7BrSCAS 97511-05-2263.15 g/mol

Open in Covalent MOL file
BrS
Aryl halide

Properties

Molecular formula
C12H7BrS
Molar mass
263.15 g/mol
Exact mass
261.9452 Da
logP
4.82Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
97511-05-2
SMILES
Brc1cccc2c1sc1ccccc12
InChIKey
GJXAVNQWIVUQOD-UHFFFAOYSA-N
InChI
InChI=1S/C12H7BrS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H

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

Names and synonyms

1 names
  • Dibenzothiophene, 4-bromo-

Work with 4-Bromodibenzothiophene

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-Iododibenzothiophene132034-89-059 % similar Dibenzothiophene132-65-057 % similar 4-(3-Bromophenyl)dibenzo[b,d]thiophene1084334-28-054 % similar 4-Dibenzothiopheneboronic acid108847-20-753 % similar 5H-[1]Benzothieno[3,2-C]carbazole(cbzs)1255308-97-446 % similar 1-Bromonaphthalene90-11-944 % similar 1,4-Dibromonaphthalene83-53-444 % similar 4-Bromobenzo[B]thiophene5118-13-843 % similar

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

Elsewhere

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