2,8-Dibromodibenzothiophene

C₁₂H₆Br₂SCAS 31574-87-5342.05 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

Danger

H301 Toxic if swallowed95.2% of notifiers
H319 Causes serious eye irritation95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501

Identifiers

CAS number

31574-87-5

SMILES

C1=CC2=C(C=C1Br)C3=C(S2)C=CC(=C3)Br

InChIKey

WNEXSUAHKVAPFK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2,8-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

2-Bromodibenzothiophene22439-61-879 % similar 2-Bromo-10-thiaxanthenone20077-10-560 % similar 3-Bromodibenzo(b,d)thiophene97511-04-159 % similar 2-Bromobenzo[9,10]phenanthrene19111-87-648 % similar 2,7-Dibromotriphenylene888041-37-048 % similar 5-Bromobenzo[B]thiophene4923-87-946 % similar 2,8-Dibromodibenzofuran10016-52-146 % similar 2,8-Dimethyldibenzothiophene1207-15-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,6-Dibromodibenzothiophene669773-34-6 3,7-Dibromodibenzo(b,d)thiophene83834-10-0

Elsewhere

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