chempirical

2-Formyl-3-thiopheneboronic acid

C5H5BO3SCAS 4347-31-3155.96 g/mol

Open in Covalent MOL file
BSOOHHO
AldehydeBoronic 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 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4347-31-3
SMILES
B(C1=C(SC=C1)C=O)(O)O
InChIKey
BBENFHSYKBYWJX-UHFFFAOYSA-N
InChI
InChI=1S/C5H5BO3S/c7-3-5-4(6(8)9)1-2-10-5/h1-3,8-9H

Weigh it out

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

Names and synonyms

1 names
  • 2-Formylthiophene-3-boronic acid

Work with 2-Formyl-3-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-Chloro-3-thienyl)boronic acid177734-82-647 % similar 2-Formylphenylboronic acid40138-16-747 % similar 3-Methyl-2-thiophenecarboxaldehyde5834-16-247 % similar 3-Methoxythiophene-2-carbaldehyde35134-07-743 % similar (4-Formyl-1-naphthalene)boronic acid332398-52-441 % similar (2-Fluoro-5-formylphenyl)boronic acid352534-79-339 % similar B-(2-Fluoro-3-formylphenyl)boronic acid849061-98-939 % similar B-(3-Fluoro-2-formylphenyl)boronic acid871126-15-739 % similar

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

Same formula

3-Formyl-2-thiopheneboronic acid17303-83-2 2-Formylthiophene-4-boronic acid175592-59-3 5-Formyl-2-thiopheneboronic acid4347-33-5

Elsewhere

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