2-Bromo-4-thiazolecarboxylic acid

C4H2BrNO2SCAS 5198-88-9208.03 g/mol

Open in Covalent MOL file
NSBrOHO
Aryl halideCarboxylic acid

Properties

Molecular formula
C4H2BrNO2S
Molar mass
208.03 g/mol
Exact mass
206.8990 Da
logP
1.60Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 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
5198-88-9
SMILES
C1=C(N=C(S1)Br)C(=O)O
InChIKey
BEGREHRAUWCAHV-UHFFFAOYSA-N
InChI
InChI=1S/C4H2BrNO2S/c5-4-6-2(1-9-4)3(7)8/h1H,(H,7,8)

Weigh it out

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Names and synonyms

1 names
  • 2-Bromo-1,3-thiazole-4-carboxylic acid

Work with 2-Bromo-4-thiazolecarboxylic acid

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

2-Methyl-1,3-thiazole-4-carboxylic acid35272-15-258 % similar 2-Aminothiazole-4-carboxylic acid40283-41-858 % similar 2-Chloro-1,3-thiazole-4-carboxylic acid5198-87-858 % similar Methyl 2-bromothiazole-4-carboxylate170235-26-453 % similar 2-Phenyl-4-carboxythiazole7113-10-251 % similar Ethyl 2-bromothiazole-4-carboxylate100367-77-950 % similar 2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid21278-86-450 % similar 4-Bromo-2,6-pyridinedicarboxylic Acid162102-81-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-5-nitrothiophene13195-50-1 2-Bromo-5-thiazolecarboxylic acid54045-76-0 4-Bromo-1,3-thiazole-2-carboxylic acid88982-82-5

Elsewhere

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