chempirical

Methyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate

C11H8O4SCAS 255828-29-6236.24 g/mol

Open in Covalent MOL file
OOSOO
AldehydeEster

Properties

Molecular formula
C11H8O4S
Molar mass
236.24 g/mol
Exact mass
236.0143 Da
logP
2.61Crippen estimate
Polar surface area
56.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

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
255828-29-6
SMILES
COC(=O)C1=C(C=CS1)C2=CC=C(O2)C=O
InChIKey
RZYUUAQLLIBFPT-UHFFFAOYSA-N
InChI
InChI=1S/C11H8O4S/c1-14-11(13)10-8(4-5-16-10)9-3-2-7(6-12)15-9/h2-6H,1H3

Weigh it out

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

Names and synonyms

1 names
  • Methyl 3-(5-formyl-2-furyl)thiophene-2-carboxylate

Work with Methyl 3-(5-formylfuran-2-yl)thiophene-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-chlorothiophene-2-carboxylate88105-17-350 % similar Methyl 3-aminothiophene-2-carboxylate22288-78-448 % similar Methyl 3-methylthiophene-2-carboxylate81452-54-248 % similar 2-Thiophenecarboxylicacid,3-fluoro-,methylester(9ci)100421-52-147 % similar Methyl 3-bromothiophene-2-carboxylate26137-08-647 % similar Methyl 3-hydroxythiophene-2-carboxylate5118-06-947 % similar Methyl 3-methoxythiophene-2-carboxylate62353-75-747 % similar 4-(5-Formyl-2-furanyl)benzoic acid ethyl ester19247-87-146 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook