5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde

C₁₁H₁₅BO₃SCAS 1040281-83-1238.11 g/mol

Open in Covalent MOL file

Aldehyde Boronic ester

Properties

Molecular formula: C₁₁H₁₅BO₃S
Molar mass: 238.11 g/mol
Exact mass: 238.0835 Da
logP: 1.86Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

1040281-83-1

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C=O

InChIKey

OVGYVJMTHQRCDB-UHFFFAOYSA-N

InChI

InChI=1S/C11H15BO3S/c1-10(2)11(3,4)15-12(14-10)9-6-5-8(7-13)16-9/h5-7H,1-4H3

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Work with 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde

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

4-Formylphenylboronic acid pinacol ester128376-64-750 % similar 5-Formyl-2-thiopheneboronic acid4347-33-550 % similar 2,5-Thiophenedicarboxaldehyde932-95-645 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole1086111-09-244 % similar 5-Methyl-2-thiophenecarboxaldehyde13679-70-442 % similar 5-Nitro-2-thiophenecarboxaldehyde4521-33-940 % similar 5-Ethyl-2-thiophenecarboxaldehyde36880-33-838 % similar 5-Bromo-2-thiophenecarboxaldehyde4701-17-138 % similar

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

Elsewhere

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