chempirical

4,7-Dibromobenzo[1,2-C:4,5-C']bis([1,2,5]thiadiazole)

C6Br2N4S2CAS 165617-59-4352.02 g/mol

Open in Covalent MOL file
NSNNSNBrBr
Aryl halide

Properties

Molecular formula
C6Br2N4S2
Molar mass
352.02 g/mol
Exact mass
349.7931 Da
logP
3.94Crippen estimate
Polar surface area
50.5 Ų
H-bond donors / acceptors
0 / 5
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
165617-59-4
SMILES
C12=C(C3=NSN=C3C(=C1N=S=N2)Br)Br
InChIKey
JIHWVOHZFVWBMK-UHFFFAOYSA-N
InChI
InChI=1S/C6Br2N4S2/c7-1-3-5(11-13-9-3)2(8)6-4(1)10-14-12-6

Weigh it out

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

Work with 4,7-Dibromobenzo[1,2-C:4,5-C']bis([1,2,5]thiadiazole)

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

4,7-Dibromo-5,6-difluoro-2,1,3-benzothiadiazole1295502-53-248 % similar 4,7-Dibromo-5,6-dinitrobenzo[C][1,2,5]thiadiazole76186-72-638 % similar 4,7-Dibromo-5-fluoro-2,1,3-benzothiadiazole1347736-74-637 % similar 4,7-Dibromo-2,1,3-benzothiadiazole15155-41-634 % similar 4,7-Dibromo-5,6-bis(octyloxy)-2,1,3-benzothiadiazole1192352-08-133 % similar 4,8-Bis(5-bromo-4-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-C:4,5-C']bis[1,2,5]thiadiazole1401018-41-430 % similar

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

Elsewhere

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