4,6-Dibromodibenzothiophene

C₁₂H₆Br₂SCAS 669773-34-6342.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₆Br₂S
Molar mass: 342.05 g/mol
Exact mass: 339.8557 Da
logP: 5.58Crippen estimate
Polar surface area: 0.0 Å²
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

669773-34-6

SMILES

C1=CC2=C(C(=C1)Br)SC3=C2C=CC=C3Br

InChIKey

ULGFJZPCGNTWFK-UHFFFAOYSA-N

InChI

InChI=1S/C12H6Br2S/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1-6H

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Names and synonyms

1 names

4,6-Dibromo-dibenzothiophene

Work with 4,6-Dibromodibenzothiophene

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-Bromodibenzothiophene97511-05-270 % similar 1,5-Dibromonaphthalene7351-74-858 % similar 4,6-Dimethyldibenzothiophene1207-12-150 % similar 1-Bromodibenzothiophene65642-94-648 % similar 1-Bromonaphthalene90-11-948 % similar 1,4-Dibromonaphthalene83-53-448 % similar 4,6-Dibromodibenzofuran201138-91-246 % similar 5-Bromoquinoline4964-71-044 % similar

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

Same formula

2,8-Dibromodibenzothiophene31574-87-5 3,7-Dibromodibenzo(b,d)thiophene83834-10-0

Elsewhere

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