chempirical

5-Carboxythiophene-2-boronic acid

C5H5BO4SCAS 465515-31-5171.96 g/mol

Open in Covalent MOL file
BSOOHHOHO
Boronic acidCarboxylic acid

Properties

Molecular formula
C5H5BO4S
Molar mass
171.96 g/mol
Exact mass
172.0002 Da
logP
-0.87Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 4
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
465515-31-5
SMILES
B(C1=CC=C(S1)C(=O)O)(O)O
InChIKey
OQGIKNPOYTVNNF-UHFFFAOYSA-N
InChI
InChI=1S/C5H5BO4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,9-10H,(H,7,8)

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Names and synonyms

1 names
  • 5-Boronothiophene-2-carboxylic acid

Work with 5-Carboxythiophene-2-boronic 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-Thiophenedicarboxylic acid4282-31-963 % similar 5-Acetyl-2-thiopheneboronic acid206551-43-161 % similar 2,5-Thiophenediylbisboronic acid26076-46-054 % similar 5-Methyl-2-thiophenecarboxylic acid1918-79-252 % similar 5-Chloro-2-thiophenecarboxylic acid24065-33-652 % similar 5-Fluorothiophene-2-carboxylic acid4377-58-652 % similar 5-Bromo-2-thiophenecarboxylic acid7311-63-952 % similar 5-Acetyl-2-thiophenecarboxylic acid4066-41-550 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook