Ethyl 5-chlorothiophene-2-carboxylate

C₇H₇ClO₂SCAS 5751-82-6190.64 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₇ClO₂S
Molar mass: 190.64 g/mol
Exact mass: 189.9855 Da
logP: 2.58Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5751-82-6

SMILES

CCOC(=O)C1=CC=C(S1)Cl

InChIKey

BMOKMXXTOZFEIZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClO2S/c1-2-10-7(9)5-3-4-6(8)11-5/h3-4H,2H2,1H3

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Work with Ethyl 5-chlorothiophene-2-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 5-chlorothiophene-2-carboxylate35475-03-763 % similar Ethyl 5-bromothiophene-2-carboxylate5751-83-762 % similar Ethyl 2-chloro-1,3-thiazole-5-carboxylate81449-93-655 % similar Ethyl 2-thiophenecarboxylate2810-04-054 % similar Diethyl 2,5-furandicarboxylate53662-83-250 % similar 2-Acetyl-5-chlorothiophene6310-09-450 % similar Diethyl terephthalate636-09-950 % similar Ethyl 4-chlorobenzoate7335-27-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methylbenzenesulfonyl chloride133-59-5 M-Toluenesulfonyl chloride1899-93-0 Benzenemethanesulfonyl chloride1939-99-7 [(Chloromethyl)sulfonyl]benzene7205-98-3 1-Chloro-4-(methylsulfonyl)benzene98-57-7 4-Toluenesulfonyl chloride98-59-9

Elsewhere

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