chempirical

5-Bromo-benzo[2,1,3]thiadiazole

C6H3BrN2SCAS 1753-75-9215.07 g/mol

Open in Covalent MOL file
NSNBr
Aryl halide

Properties

Molecular formula
C6H3BrN2S
Molar mass
215.07 g/mol
Exact mass
213.9200 Da
logP
2.45Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
1753-75-9
SMILES
C1=CC2=NSN=C2C=C1Br
InChIKey
LLCRUZDFDGTAAN-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrN2S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H

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Names and synonyms

1 names
  • 5-Bromo-2,1,3-benzothiadiazole

Work with 5-Bromo-benzo[2,1,3]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

6-Bromoquinoxaline50998-17-952 % similar 5-Fluorobenzo-2,1,3-thiadiazole17821-75-950 % similar 5-Chlorobenzo-2,1,3-thiadiazole2207-32-150 % similar 2,6-Dibromonaphthalene13720-06-446 % similar 2,1,3-Benzothiadiazole273-13-246 % similar 5-(Trifluoromethyl)benzo-2,1,3-thiadiazole17754-05-145 % similar 6-Bromo-1H-benzimidazole4887-88-145 % similar 5-Bromobenzothiazole768-11-645 % similar

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

Same formula

4-Bromo-2,1,3-benzothiadiazole22034-13-5

Elsewhere

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