(3-formylthiophen-2-yl)boronic acid

C5H5BO3S — CID 2773429

IUPAC(3-formylthiophen-2-yl)boronic acid
SMILESO=Cc1ccsc1B(O)O
InChIInChI=1S/C5H5BO3S/c7-3-4-1-2-10-5(4)6(8)9/h1-3,8-9H
InChIKeyHYXMHAHVUFTVFZ-UHFFFAOYSA-N
MW155.97 g/mol
LogP-0.76
Rot. Bonds2

About (3-formylthiophen-2-yl)boronic acid

(3-formylthiophen-2-yl)boronic acid (PubChem CID 2773429) has the molecular formula C5H5BO3S and a molecular weight of 155.97 g/mol. Its IUPAC name is (3-formylthiophen-2-yl)boronic acid.

Molecular Properties

Compound Name(3-formylthiophen-2-yl)boronic acid
PubChem CID2773429
Molecular FormulaC5H5BO3S
Molecular Weight155.97 g/mol
Exact Mass156.01
IUPAC Name(3-formylthiophen-2-yl)boronic acid
SMILESO=Cc1ccsc1B(O)O
InChIInChI=1S/C5H5BO3S/c7-3-4-1-2-10-5(4)6(8)9/h1-3,8-9H
InChIKeyHYXMHAHVUFTVFZ-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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Frequently Asked Questions

What is the IUPAC name of (3-formylthiophen-2-yl)boronic acid?
The IUPAC name of (3-formylthiophen-2-yl)boronic acid (CID 2773429) is (3-formylthiophen-2-yl)boronic acid.
What is the SMILES notation for (3-formylthiophen-2-yl)boronic acid?
The canonical SMILES for (3-formylthiophen-2-yl)boronic acid is O=Cc1ccsc1B(O)O.
What is the InChIKey of (3-formylthiophen-2-yl)boronic acid?
The InChIKey is HYXMHAHVUFTVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BO3S/c7-3-4-1-2-10-5(4)6(8)9/h1-3,8-9H.
What are the key properties of (3-formylthiophen-2-yl)boronic acid?
(3-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 (3-formylthiophen-2-yl)boronic acid is sourced from PubChem (CID 2773429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).