4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole

C₁₂H₁₅BN₂O₂SCAS 1088118-97-1262.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₅BN₂O₂S
Molar mass: 262.13 g/mol
Exact mass: 262.0947 Da
logP: 1.99Crippen estimate
Polar surface area: 44.2 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 1

Identifiers

CAS number

1088118-97-1

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC3=NSN=C23

InChIKey

FRUBQASVNDFUTD-UHFFFAOYSA-N

InChI

InChI=1S/C12H15BN2O2S/c1-11(2)12(3,4)17-13(16-11)8-6-5-7-9-10(8)15-18-14-9/h5-7H,1-4H3

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

Names and synonyms

1 names

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[C][1,2,5]thiadiazole

Work with 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole

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-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-849 % similar 4,4,5,5-Tetramethyl-2-O-tolyl-1,3,2-dioxaborolane195062-59-046 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole885618-33-745 % similar 2-Methylpyridine-3-boronic acid pinacol ester1012084-56-845 % similar 2-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-12-245 % similar 2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine452972-14-444 % similar 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-444 % similar 2,1,3-Benzothiadiazol-4-amine767-64-642 % similar

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

Elsewhere

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