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

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 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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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