Ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate

C7H8BrNO2SCAS 22900-83-0250.11 g/mol

Open in Covalent MOL file
OONSBr
Aryl halideEster

Properties

Molecular formula
C7H8BrNO2S
Molar mass
250.11 g/mol
Exact mass
248.9459 Da
logP
2.39Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 73 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
22900-83-0
SMILES
CCOC(=O)C1=C(N=C(S1)Br)C
InChIKey
CFBIOWPDDZPIDP-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BrNO2S/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3

Weigh it out

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

Work with Ethyl 2-bromo-4-methyl-1,3-thiazole-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

Ethyl 2,4-dimethylthiazole-5-carboxylate7210-77-768 % similar Ethyl 2-amino-4-methylthiazole-5-carboxylate7210-76-665 % similar Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate7238-62-265 % similar Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate53715-64-358 % similar Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate18212-20-955 % similar Ethyl 2-(4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate161797-99-554 % similar Ethyl 4-methylthiazole-5-carboxylate20582-55-254 % similar 2-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid40003-41-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromomethyl-benzenesulfonamide40724-47-8

Elsewhere

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