2-Bromodibenzothiophene

C12H7BrSCAS 22439-61-8263.15 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

Warning
Irritant (GHS07)

Aggregated from 2 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
22439-61-8
SMILES
C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)Br
InChIKey
IJICRIUYZZESMW-UHFFFAOYSA-N
InChI
InChI=1S/C12H7BrS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H

Weigh it out

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

Work with 2-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

2,8-Dibromodibenzothiophene31574-87-579 % similar 2-Bromo-10-thiaxanthenone20077-10-571 % similar 3,7-Dibromodibenzo(b,d)thiophene83834-10-059 % similar Dibenzothiophene132-65-058 % similar 2-Bromobenzo[9,10]phenanthrene19111-87-656 % similar 2,7-Dibromotriphenylene888041-37-056 % similar 2-Iododibenzothiophene177586-41-355 % similar 2-Dibenzothiophenamine7428-91-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromodibenzothiophene65642-94-6 3-Bromodibenzo(b,d)thiophene97511-04-1 4-Bromodibenzothiophene97511-05-2

Elsewhere

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