3-Formyl-2-thiopheneboronic acid

C₅H₅BO₃SCAS 17303-83-2155.96 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
logP: -0.76Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

17303-83-2

SMILES

O=Cc1ccsc1B(O)O

InChIKey

HYXMHAHVUFTVFZ-UHFFFAOYSA-N

InChI

InChI=1S/C5H5BO3S/c7-3-4-1-2-10-5(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-(3-formyl-2-thienyl)-
2-Thiopheneboronic acid, 3-formyl-
Boronic acid, (3-formyl-2-thienyl)-
B-(3-Formyl-2-thienyl)boronic acid
3-Formyl-2-thienylboronic acid
(3-Formylthiophen-2-yl)boronic acid

Work with 3-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

B-(2-Fluoro-3-formylphenyl)boronic acid849061-98-939 % similar B-(4-Chloro-2-formylphenyl)boronic acid913835-76-439 % similar 4-Formylphenylboronic acid87199-17-539 % similar (3-Formyl-4-methoxyphenyl)boronic acid121124-97-837 % similar 2-[(4-Chlorophenyl)thio]-3-thiophenecarboxaldehyde306935-23-937 % similar 3-Formylphenylboronic acid87199-16-435 % similar B-(2-Chloro-3-thienyl)boronic acid177734-82-634 % similar 3-Methyl-2-thiophenecarboxaldehyde5834-16-234 % similar

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

Same formula

5-Formyl-2-thiopheneboronic acid4347-33-5

Elsewhere

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