chempirical

Methyl 3-methylthiophene-2-carboxylate

C7H8O2SCAS 81452-54-2156.20 g/mol

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Ester

Properties

Molecular formula
C7H8O2S
Molar mass
156.20 g/mol
Exact mass
156.0245 Da
logP
1.84Crippen estimate
Polar surface area
26.3 Ų
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
81452-54-2
SMILES
CC1=C(SC=C1)C(=O)OC
InChIKey
BRWROFVPMUPMJQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O2S/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2H3

Weigh it out

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Work with Methyl 3-methylthiophene-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 3-aminothiophene-2-carboxylate22288-78-464 % similar 2-Thiophenecarboxylicacid,3-fluoro-,methylester(9ci)100421-52-162 % similar Methyl 3-bromothiophene-2-carboxylate26137-08-662 % similar Methyl 3-hydroxythiophene-2-carboxylate5118-06-962 % similar Methyl 3-methoxythiophene-2-carboxylate62353-75-762 % similar Methyl 3-chlorothiophene-2-carboxylate88105-17-362 % similar Methyl 3-(chlorosulfonyl)-2-thiophenecarboxylate59337-92-758 % similar Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate59337-93-858 % similar

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

Same formula

Furfurylthiol acetate13678-68-7 Methyl (2-thienyl)acetate19432-68-9 5-Ethyl-thiophene-2-carboxylic acid23229-72-3 Ethyl 2-thiophenecarboxylate2810-04-0 Methyl phenyl sulfone3112-85-4 4,5-Dimethyl-2-thiophenecarboxylic acid40808-24-0 3-(Acetylthio)-2-methylfuran55764-25-5 Ethyl 3-thiophenecarboxylate5751-80-4

Elsewhere

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