chempirical

1-Bromodibenzothiophene

C12H7BrSCAS 65642-94-6263.15 g/mol

Open in Covalent MOL file
SBr
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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
65642-94-6
SMILES
C1=CC=C2C(=C1)C3=C(S2)C=CC=C3Br
InChIKey
JESBGFNZNSEZMR-UHFFFAOYSA-N
InChI
InChI=1S/C12H7BrS/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H

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Names and synonyms

1 names
  • Dibenzothiophene, 1-bromo-

Work with 1-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

Dibenzothiophene132-65-054 % similar Benzo[b]naphtho[1,2-d]thiophene205-43-653 % similar 4,6-Dibromodibenzothiophene669773-34-648 % similar 3-Bromo-1-benzothiophene7342-82-747 % similar Thioxanthone492-22-845 % similar 1,5-Dibromonaphthalene7351-74-844 % similar 4-Bromo-9H-carbazole3652-89-944 % similar 1-Bromodibenzofuran50548-45-344 % similar

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

Same formula

2-Bromodibenzothiophene22439-61-8 4-Bromodibenzothiophene97511-05-2

Elsewhere

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