(2,5-diformylthiophen-3-yl)boronic acid

C6H5BO4S — CID 71732284

IUPAC(2,5-diformylthiophen-3-yl)boronic acid
SMILESO=Cc1cc(B(O)O)c(C=O)s1
InChIInChI=1S/C6H5BO4S/c8-2-4-1-5(7(10)11)6(3-9)12-4/h1-3,10-11H
InChIKeyMUFMXOGQGGNMRX-UHFFFAOYSA-N
MW183.98 g/mol
LogP-0.95
Rot. Bonds3

About (2,5-diformylthiophen-3-yl)boronic acid

(2,5-diformylthiophen-3-yl)boronic acid (PubChem CID 71732284) has the molecular formula C6H5BO4S and a molecular weight of 183.98 g/mol. Its IUPAC name is (2,5-diformylthiophen-3-yl)boronic acid.

Molecular Properties

Compound Name(2,5-diformylthiophen-3-yl)boronic acid
PubChem CID71732284
Molecular FormulaC6H5BO4S
Molecular Weight183.98 g/mol
Exact Mass184.00
IUPAC Name(2,5-diformylthiophen-3-yl)boronic acid
SMILESO=Cc1cc(B(O)O)c(C=O)s1
InChIInChI=1S/C6H5BO4S/c8-2-4-1-5(7(10)11)6(3-9)12-4/h1-3,10-11H
InChIKeyMUFMXOGQGGNMRX-UHFFFAOYSA-N
XLogP-0.95
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.98
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde
CID 169408596
5-formyl-3-methylthiophene-2-carboxylic acid
CID 82412510
5-(3-aminoprop-1-enyl)-4-methylthiophene-2-carbaldehyde
CID 169463193
4-fluoro-5-methylthiophene-2-carbaldehyde
CID 82417818
(3,5-difluoro-2-formyl-4-methylphenyl)boronic acid
CID 155293780
4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde
CID 96590788
5-methyl-4-methylsulfanylthiophene-2-carbaldehyde
CID 123544567
5-formyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)thiophene-2-carboxylic acid
CID 165449578
5-formyl-N,N,2-trimethylthiophene-3-carboxamide
CID 58724865
methyl 5-formyl-3-hydroxythiophene-2-carboxylate
CID 143563252
7-oxo-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarbaldehyde
CID 14939747
(4-formyl-3,5-dihydroxyphenyl)boronic acid
CID 171487300

Frequently Asked Questions

What is the IUPAC name of (2,5-diformylthiophen-3-yl)boronic acid?
The IUPAC name of (2,5-diformylthiophen-3-yl)boronic acid (CID 71732284) is (2,5-diformylthiophen-3-yl)boronic acid.
What is the SMILES notation for (2,5-diformylthiophen-3-yl)boronic acid?
The canonical SMILES for (2,5-diformylthiophen-3-yl)boronic acid is O=Cc1cc(B(O)O)c(C=O)s1.
What is the InChIKey of (2,5-diformylthiophen-3-yl)boronic acid?
The InChIKey is MUFMXOGQGGNMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BO4S/c8-2-4-1-5(7(10)11)6(3-9)12-4/h1-3,10-11H.
What are the key properties of (2,5-diformylthiophen-3-yl)boronic acid?
(2,5-diformylthiophen-3-yl)boronic acid has a molecular weight of 183.98 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diformylthiophen-3-yl)boronic acid is sourced from PubChem (CID 71732284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).