5-(1,3,2-Dioxaborinan-2-yl)-3-methyl-2-thiophenecarboxaldehyde

C₉H₁₁BO₃SCAS 374537-98-1210.05 g/mol

Open in Covalent MOL file

Aldehyde Boronic ester

Properties

Molecular formula: C₉H₁₁BO₃S
Molar mass: 210.05 g/mol
Exact mass: 210.0522 Da
logP: 1.00Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

374537-98-1

SMILES

Cc1cc(B2OCCCO2)sc1C=O

InChIKey

HWKMZYCWSDPJQH-UHFFFAOYSA-N

InChI

InChI=1S/C9H11BO3S/c1-7-5-9(14-8(7)6-11)10-12-3-2-4-13-10/h5-6H,2-4H2,1H3

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

Names and synonyms

1 names

2-Thiophenecarboxaldehyde, 5-(1,3,2-dioxaborinan-2-yl)-3-methyl-

Work with 5-(1,3,2-Dioxaborinan-2-yl)-3-methyl-2-thiophenecarboxaldehyde

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

3-Methyl-2-thiophenecarboxaldehyde5834-16-234 % similar 4-Methoxy-2,5-dimethylbenzaldehyde6745-75-132 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-430 % similar 2,4,5-Trimethylbenzaldehyde5779-72-630 % similar

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

Elsewhere

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