chempirical

4,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole

C18H26B2N2O4SCAS 934365-16-9388.10 g/mol

Open in Covalent MOL file
BOONSNBOO
Boronic ester

Properties

Molecular formula
C18H26B2N2O4S
Molar mass
388.10 g/mol
Exact mass
388.1799 Da
logP
2.29Crippen estimate
Polar surface area
62.7 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
934365-16-9
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C3=NSN=C23)B4OC(C(O4)(C)C)(C)C
InChIKey
DHWADSHFLSDMBJ-UHFFFAOYSA-N
InChI
InChI=1S/C18H26B2N2O4S/c1-15(2)16(3,4)24-19(23-15)11-9-10-12(14-13(11)21-27-22-14)20-25-17(5,6)18(7,8)26-20/h9-10H,1-8H3

Weigh it out

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Work with 4,7-Bis(4,4,5,5-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

4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole1088118-97-171 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-849 % similar 2,6-Difluoro-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)pyridine1072945-00-647 % similar 2,6-Dichloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1073371-78-447 % similar 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-147 % similar 2,6-Dimethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine214360-59-546 % similar 3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline819057-45-946 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-046 % similar

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

Elsewhere

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