chempirical

4,7-Bis(2-bromo-5-thienyl)-2,1,3-benzothiadiazole

C14H6Br2N2S3CAS 288071-87-4458.20 g/mol

Open in Covalent MOL file
NSNSBrSBr
Aryl halide

Properties

Molecular formula
C14H6Br2N2S3
Molar mass
458.20 g/mol
Exact mass
455.8060 Da
logP
6.67Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Identifiers

CAS number
288071-87-4
SMILES
C1=C(C2=NSN=C2C(=C1)C3=CC=C(S3)Br)C4=CC=C(S4)Br
InChIKey
ZIIMIGRZSUYQGW-UHFFFAOYSA-N
InChI
InChI=1S/C14H6Br2N2S3/c15-11-5-3-9(19-11)7-1-2-8(10-4-6-12(16)20-10)14-13(7)17-21-18-14/h1-6H

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Work with 4,7-Bis(2-bromo-5-thienyl)-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

5,5'-Dibromo-2,2'-bithiophene4805-22-554 % similar 4,7-Bis(thiophen-2-yl)benzo[C][1,2,5]thiadiazole165190-76-145 % similar 2-Bromo-5-phenylthiophene29488-24-244 % similar 2,5-Dibromothiophene3141-27-342 % similar 4-(5-Bromothiophen-2-yl)-1,3-thiazol-2-amine34801-14-442 % similar 2-(5-Bromo-2-thienyl)pyridine123784-07-642 % similar 4,7-Dibromo-2,1,3-benzothiadiazole15155-41-640 % similar 5'-Bromo(2,2'-bithiophene)-5-carbaldehyde110046-60-139 % similar

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

Elsewhere

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