chempirical

Methyl 5-formylthiophene-2-carboxylate

C7H6O3SCAS 67808-64-4170.18 g/mol

Open in Covalent MOL file
OOSO
AldehydeEster

Properties

Molecular formula
C7H6O3S
Molar mass
170.18 g/mol
Exact mass
170.0038 Da
logP
1.35Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 4
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
67808-64-4
SMILES
COC(=O)C1=CC=C(S1)C=O
InChIKey
APNKWEPRZUSZCJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O3S/c1-10-7(9)6-3-2-5(4-8)11-6/h2-4H,1H3

Weigh it out

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Names and synonyms

1 names
  • Methyl 5-formyl-2-thiophenecarboxylate

Work with Methyl 5-formylthiophene-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-carboxylate35475-03-756 % similar Methyl 5-bromothiophene-2-carboxylate62224-19-556 % similar 5-Formyl-2-thiophenecarboxylic acid4565-31-553 % similar Methyl 5-nitro-2-thiophenecarboxylate5832-01-949 % similar Methyl 4-formylbenzoate1571-08-049 % similar 2,5-Thiophenedicarboxaldehyde932-95-647 % similar Methyl 6-formylpyridine-3-carboxylate10165-86-346 % similar Methyl 2-formylbenzoate4122-56-946 % similar

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

Same formula

2,3-Dihydrothieno(3,4-b)(1,4)dioxine-5-carbaldehyde204905-77-1 5-Acetyl-2-thiophenecarboxylic acid4066-41-5 Methyl 5-formylthiophene-3-carboxylate67808-66-6

Elsewhere

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