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

C₁₀H₁₅BO₂SCAS 214360-70-0210.10 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 swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

214360-70-0

SMILES

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

InChIKey

HQXQOBAEDQBINI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Thiophene-3-boronic acid pinacol ester

Work with 4,4,5,5-Tetramethyl-2-(thiophen-3-yl)-1,3,2-dioxaborolane

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

2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-159 % similar 1,3,5-Phenyltriboronic acid, pinacol ester365564-05-254 % similar 2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-853 % similar Phenylboronic acid pinacol ester24388-23-653 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-852 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine181219-01-250 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene195062-57-850 % similar 2-(4-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane214360-58-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Thiophene-2-boronic acid pinacol ester193978-23-3

Elsewhere

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