4-Bromo-2,1,3-benzothiadiazole

C₆H₃BrN₂SCAS 22034-13-5215.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃BrN₂S
Molar mass: 215.07 g/mol
Exact mass: 213.9200 Da
logP: 2.45Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 3
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

22034-13-5

SMILES

C1=CC2=NSN=C2C(=C1)Br

InChIKey

KYKBVPGDKGABHY-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrN2S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H

Weigh it out

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

Work with 4-Bromo-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

4,7-Dibromo-2,1,3-benzothiadiazole15155-41-663 % similar 2,1,3-Benzothiadiazol-4-amine767-64-657 % similar 2,1,3-Benzothiadiazole273-13-250 % similar 4-Nitro-2,1,3-benzothiadiazole6583-06-846 % similar 2,1,3-Benzothiadiazole-4-sulfonyl chloride73713-79-846 % similar 7-Bromo-benzo[C][1,2,5]thiadiazole-4-carbaldehyde1071224-34-444 % similar 5-Chloro-4-amino-2,1,3-benzothiadiazole115398-34-042 % similar 5-Chloro-4-amino-2,1,3-benzothiadiazole30536-19-742 % similar

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

Same formula

5-Bromo-benzo[2,1,3]thiadiazole1753-75-9

Elsewhere

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