3-Methylthiophene-2-boronic acid pinacol ester

C₁₁H₁₇BO₂SCAS 885692-91-1224.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₇BO₂S
Molar mass: 224.13 g/mol
Exact mass: 224.1042 Da
logP: 2.36Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

885692-91-1

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(C=CS2)C

InChIKey

DGJCULPYCMEHFZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H17BO2S/c1-8-6-7-15-9(8)12-13-10(2,3)11(4,5)14-12/h6-7H,1-5H3

Weigh it out

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

Names and synonyms

1 names

4,4,5,5-Tetramethyl-2-(3-methylthiophen-2-yl)-1,3,2-dioxaborolane

Work with 3-Methylthiophene-2-boronic acid pinacol ester

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

Thiophene-2-boronic acid pinacol ester193978-23-349 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-049 % similar 3-Methylthiophene-2-boronic acid177735-09-048 % similar 2-(3,4-Dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane401797-00-047 % similar 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-145 % similar 4,4,5,5-Tetramethyl-2-(thiophen-3-yl)-1,3,2-dioxaborolane214360-70-044 % similar 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1171891-31-844 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene195062-57-843 % similar

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

Elsewhere

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