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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

4,6-Dibromodibenzothiophene669773-34-670 % similar 4-(4-Bromophenyl)dibenzothiophene530402-77-863 % similar 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 Dibenzo[B,D]thiophene-4-carbaldehyde23985-81-153 % similar 3-Bromo-1-benzothiophene7342-82-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromodibenzothiophene22439-61-8 1-Bromodibenzothiophene65642-94-6 3-Bromodibenzo(b,d)thiophene97511-04-1

Elsewhere

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