(4-formylthiophen-2-yl)boronic acid

C5H5BO3S — CID 21465556

IUPAC(4-formylthiophen-2-yl)boronic acid
SMILESO=Cc1csc(B(O)O)c1
InChIInChI=1S/C5H5BO3S/c7-2-4-1-5(6(8)9)10-3-4/h1-3,8-9H
InChIKeyQLNGETCGSFWOIY-UHFFFAOYSA-N
MW155.97 g/mol
LogP-0.76
Rot. Bonds2

About (4-formylthiophen-2-yl)boronic acid

(4-formylthiophen-2-yl)boronic acid (PubChem CID 21465556) has the molecular formula C5H5BO3S and a molecular weight of 155.97 g/mol. Its IUPAC name is (4-formylthiophen-2-yl)boronic acid.

Molecular Properties

Compound Name(4-formylthiophen-2-yl)boronic acid
PubChem CID21465556
Molecular FormulaC5H5BO3S
Molecular Weight155.97 g/mol
Exact Mass156.01
IUPAC Name(4-formylthiophen-2-yl)boronic acid
SMILESO=Cc1csc(B(O)O)c1
InChIInChI=1S/C5H5BO3S/c7-2-4-1-5(6(8)9)10-3-4/h1-3,8-9H
InChIKeyQLNGETCGSFWOIY-UHFFFAOYSA-N
XLogP-0.76
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.97
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-sulfanylthiophene-3-carbaldehyde
CID 139909673
4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde
CID 158194298
5-[(dimethylamino)methyl]thiophene-3-carbaldehyde
CID 82412716
5-butylthiophene-3-carbaldehyde
CID 91750489
5-pentan-3-ylthiophene-3-carbaldehyde
CID 82407564
5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde
CID 55271946
5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde
CID 18185914
5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde
CID 167716780
5-[1-(2-hydroxyethyl)pyrazol-4-yl]thiophene-3-carbaldehyde
CID 142706253
(2-bromo-5-formylphenyl)boronic acid
CID 71732197
(2-chloro-4-formylphenyl)boronic acid
CID 53216420
(5-formylthiophen-3-yl)oxyboronic acid
CID 151815900

Frequently Asked Questions

What is the IUPAC name of (4-formylthiophen-2-yl)boronic acid?
The IUPAC name of (4-formylthiophen-2-yl)boronic acid (CID 21465556) is (4-formylthiophen-2-yl)boronic acid.
What is the SMILES notation for (4-formylthiophen-2-yl)boronic acid?
The canonical SMILES for (4-formylthiophen-2-yl)boronic acid is O=Cc1csc(B(O)O)c1.
What is the InChIKey of (4-formylthiophen-2-yl)boronic acid?
The InChIKey is QLNGETCGSFWOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BO3S/c7-2-4-1-5(6(8)9)10-3-4/h1-3,8-9H.
What are the key properties of (4-formylthiophen-2-yl)boronic acid?
(4-formylthiophen-2-yl)boronic acid has a molecular weight of 155.97 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylthiophen-2-yl)boronic acid is sourced from PubChem (CID 21465556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).