2,5-Thiophenediylbisboronic acid

C₄H₆B₂O₄SCAS 26076-46-0171.77 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₆B₂O₄S
Molar mass: 171.77 g/mol
Exact mass: 172.0173 Da
logP: -2.89Crippen estimate
Polar surface area: 80.9 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 2

Identifiers

CAS number

26076-46-0

SMILES

B(C1=CC=C(S1)B(O)O)(O)O

InChIKey

SKFDVFMUXZWWOW-UHFFFAOYSA-N

InChI

InChI=1S/C4H6B2O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,7-10H

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

Names and synonyms

1 names

2,5-Thiophenediboronic acid

Work with 2,5-Thiophenediylbisboronic acid

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-Bromo-2-thiopheneboronic Acid (contains varying amounts of Anhydride)162607-17-267 % similar 5-Chlorothiophene-2-boronic acid162607-18-367 % similar 5-Methyl-2-thiopheneboronic acid162607-20-767 % similar (5-Cyanothiophen-2-yl)boronic acid305832-67-158 % similar 5-Formyl-2-thiopheneboronic acid4347-33-558 % similar 5-Acetyl-2-thiopheneboronic acid206551-43-152 % similar 2-Thienylboronic acid6165-68-050 % similar 4-Methylthiophene-2-boronic acid162607-15-038 % similar

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

Elsewhere

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