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

Hazards

Warning

H302 Harmful if swallowed36.4% of notifiers
H312 Harmful in contact with skin18.2% of notifiers
H315 Causes skin irritation90.9% of notifiers
H319 Causes serious eye irritation90.9% of notifiers
H332 Harmful if inhaled18.2% of notifiers
H335 May cause respiratory irritation81.8% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Thiophenediylbisboronic acid26076-46-058 % similar Thiophene-2,5-dicarbaldehyde932-95-656 % 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-Bromo-2-thiopheneboronic Acid (contains varying amounts of Anhydride)162607-17-245 % similar 5-Chlorothiophene-2-boronic acid162607-18-345 % similar 5-Methyl-2-thiopheneboronic acid162607-20-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Formyl-2-thiopheneboronic Acid (contains varying amounts of Anhydride)17303-83-2 2-Formylthiophene-4-boronic acid175592-59-3 2-Formyl-3-thiopheneboronic acid4347-31-3

Elsewhere

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