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

C₆H₃BrN₂SCAS 1753-75-9215.07 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

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

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

Weigh it out

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

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 5-Bromo-2,1,3-benzoxadiazole51376-06-850 % similar 2,1,3-Benzothiadiazol-5-amine874-37-350 % similar 2,6-Dibromonaphthalene13720-06-446 % similar 2,1,3-Benzothiadiazole273-13-246 % similar 5-(Trifluoromethyl)benzo-2,1,3-thiadiazole17754-05-145 % 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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