Thiophene-2-boronic acid pinacol ester

C₁₀H₁₅BO₂SCAS 193978-23-3210.10 g/mol

Open in Covalent MOL file

Boronic ester

Properties

Molecular formula: C₁₀H₁₅BO₂S
Molar mass: 210.10 g/mol
Exact mass: 210.0886 Da
logP: 2.05Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed60% of notifiers
H312 Harmful in contact with skin60% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled60% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

193978-23-3

SMILES

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

InChIKey

FFZHICFAHSDFKZ-UHFFFAOYSA-N

InChI

InChI=1S/C10H15BO2S/c1-9(2)10(3,4)13-11(12-9)8-6-5-7-14-8/h5-7H,1-4H3

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-(thiophen-2-yl)-1,3,2-dioxaborolane

Work with Thiophene-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

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole1086111-09-250 % similar 5-Chlorothiophene-2-boronic acid pinacol ester635305-24-749 % similar 3-Methylthiophene-2-boronic acid pinacol ester885692-91-149 % similar Phenylboronic acid pinacol ester24388-23-648 % similar 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-148 % similar 2-Furanboronic acid pinacol ester374790-93-947 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-847 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde1040281-83-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4,5,5-Tetramethyl-2-(thiophen-3-yl)-1,3,2-dioxaborolane214360-70-0

Elsewhere

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