5-Formyl-2-thiopheneboronic acid

C₅H₅BO₃SCAS 4347-33-5155.96 g/mol

Open in Covalent MOL file

Aldehyde Boronic acid

Properties

Molecular formula: C₅H₅BO₃S
Molar mass: 155.96 g/mol
Exact mass: 156.0052 Da
Melting point: above 200 °C (decomposes)
logP: -0.76Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

4347-33-5

SMILES

O=Cc1ccc(B(O)O)s1

InChIKey

DEQOVKFWRPOPQP-UHFFFAOYSA-N

InChI

InChI=1S/C5H5BO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-3,8-9H

Weigh it out

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

Names and synonyms

6 names

Boronic acid, B-(5-formyl-2-thienyl)-
2-Thiopheneboronic acid, 5-formyl-
Boronic acid, (5-formyl-2-thienyl)-
B-(5-Formyl-2-thienyl)boronic acid
(5-Formyl-2-thienyl)boronic acid
[5-(Formyl)thiophen-2-yl]boronic acid

Work with 5-Formyl-2-thiopheneboronic 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

2,5-Thiophenedicarboxaldehyde932-95-656 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde1040281-83-150 % similar 5-Nitro-2-thiophenecarboxaldehyde4521-33-947 % similar 5-Methyl-2-thiophenecarboxaldehyde13679-70-445 % similar 5-Methyl-2-thiopheneboronic acid162607-20-745 % similar 5-Bromo-2-thiophenecarboxaldehyde4701-17-145 % similar 5-Chloro-2-thiophenecarboxaldehyde7283-96-745 % similar (5-Cyanothiophen-2-yl)boronic acid305832-67-141 % similar

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

Same formula

3-Formyl-2-thiopheneboronic acid17303-83-2

Elsewhere

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