Methyl 5-chlorothiophene-2-carboxylate

C₆H₅ClO₂SCAS 35475-03-7176.61 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₆H₅ClO₂S
Molar mass: 176.61 g/mol
Exact mass: 175.9699 Da
logP: 2.19Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

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

35475-03-7

SMILES

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

InChIKey

SQVGSFPLDUMEDG-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClO2S/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3

Weigh it out

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Names and synonyms

1 names

Methyl-5-chlorothiophene-2-carboxylate

Work with Methyl 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

Ethyl 5-chlorothiophene-2-carboxylate5751-82-663 % similar Methyl 5-bromothiophene-2-carboxylate62224-19-559 % similar Methyl 5-formylthiophene-2-carboxylate67808-64-456 % similar 2-Acetyl-5-chlorothiophene6310-09-455 % similar 5-Chlorothiophene-2-carbonyl chloride42518-98-952 % similar Methyl 5-nitro-2-thiophenecarboxylate5832-01-951 % similar 5-Chloro-2-thiophenecarboxylic acid24065-33-650 % similar Methyl 2-thiophenecarboxylate5380-42-749 % similar

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

Same formula

Methyl 3-chlorothiophene-2-carboxylate88105-17-3 Benzenesulfonyl chloride98-09-9

Elsewhere

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