4-Bromo-2,1,3-benzothiadiazole

C6H3BrN2SCAS 22034-13-5215.07 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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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

PubChem CAS Common Chemistry NIST WebBook