Ethyl 2-bromothiazole-5-carboxylate

C6H6BrNO2SCAS 41731-83-3236.08 g/mol

Open in Covalent MOL file
OONSBr
Aryl halideEster

Properties

Molecular formula
C6H6BrNO2S
Molar mass
236.08 g/mol
Exact mass
234.9303 Da
logP
2.08Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
41731-83-3
SMILES
CCOC(=O)C1=CN=C(S1)Br
InChIKey
KTYIFXLNIMPSKI-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BrNO2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3

Weigh it out

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Work with Ethyl 2-bromothiazole-5-carboxylate

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

Methyl 2-bromothiazole-5-carboxylate54045-74-865 % similar Ethyl 2-aminothiazole-5-carboxylate32955-21-864 % similar Ethyl 2-chloro-1,3-thiazole-5-carboxylate81449-93-664 % similar Ethyl 2-(trifluoromethyl)thiazole-5-carboxylate131748-96-460 % similar Ethyl 5-bromothiophene-2-carboxylate5751-83-755 % similar Ethyl thiazole-5-carboxylate32955-22-954 % similar Ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate22900-83-051 % similar Ethyl 5-bromopyridine-3-carboxylate20986-40-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-bromothiazole-4-carboxylate100367-77-9 Ethyl 5-bromo-1,3-thiazole-4-carboxylate61830-23-7 4-Bromobenzenesulfonamide701-34-8 3-Bromobenzene-1-sulfonamide89599-01-9 2-Bromobenzenesulfonamide92748-09-9

Elsewhere

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