4,7-Dibromo-2,1,3-benzothiadiazole

C6H2Br2N2SCAS 15155-41-6293.96 g/mol

Open in Covalent MOL file
NSNBrBr
Aryl halide

Properties

Molecular formula
C6H2Br2N2S
Molar mass
293.96 g/mol
Exact mass
291.8305 Da
logP
3.22Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
15155-41-6
SMILES
C1=C(C2=NSN=C2C(=C1)Br)Br
InChIKey
FEOWHLLJXAECMU-UHFFFAOYSA-N
InChI
InChI=1S/C6H2Br2N2S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H

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Work with 4,7-Dibromo-2,1,3-benzothiadiazole

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

7-Bromo-benzo[C][1,2,5]thiadiazole-4-carbaldehyde1071224-34-463 % similar 4-Bromo-2,1,3-benzothiadiazole22034-13-563 % similar 4,7-Dibromo[1,2,5]thiadiazolo[3,4-c]pyridine333432-27-254 % similar 4,7-Dibromo-5-fluoro-2,1,3-benzothiadiazole1347736-74-648 % similar 4,7-Dibromo-2,1,3-benzoxadiazole54286-63-448 % similar 3,6-Dibromo-1,2-benzenediamine69272-50-041 % similar 4,7-Dibromo-5,6-difluoro-2,1,3-benzothiadiazole1295502-53-240 % similar 4,7-Bis(2-bromo-5-thienyl)-2,1,3-benzothiadiazole288071-87-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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