(5-formylthiophen-3-yl)oxyboronic acid

C5H5BO4S — CID 151815900

IUPAC(5-formylthiophen-3-yl)oxyboronic acid
SMILESO=Cc1cc(OB(O)O)cs1
InChIInChI=1S/C5H5BO4S/c7-2-5-1-4(3-11-5)10-6(8)9/h1-3,8-9H
InChIKeySBOVFQDMZAAVHX-UHFFFAOYSA-N
MW171.97 g/mol
LogP-0.09
Rot. Bonds3

About (5-formylthiophen-3-yl)oxyboronic acid

(5-formylthiophen-3-yl)oxyboronic acid (PubChem CID 151815900) has the molecular formula C5H5BO4S and a molecular weight of 171.97 g/mol. Its IUPAC name is (5-formylthiophen-3-yl)oxyboronic acid.

Molecular Properties

Compound Name(5-formylthiophen-3-yl)oxyboronic acid
PubChem CID151815900
Molecular FormulaC5H5BO4S
Molecular Weight171.97 g/mol
Exact Mass172.00
IUPAC Name(5-formylthiophen-3-yl)oxyboronic acid
SMILESO=Cc1cc(OB(O)O)cs1
InChIInChI=1S/C5H5BO4S/c7-2-5-1-4(3-11-5)10-6(8)9/h1-3,8-9H
InChIKeySBOVFQDMZAAVHX-UHFFFAOYSA-N
XLogP-0.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.97
LogP ≤ 5-0.09
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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Frequently Asked Questions

What is the IUPAC name of (5-formylthiophen-3-yl)oxyboronic acid?
The IUPAC name of (5-formylthiophen-3-yl)oxyboronic acid (CID 151815900) is (5-formylthiophen-3-yl)oxyboronic acid.
What is the SMILES notation for (5-formylthiophen-3-yl)oxyboronic acid?
The canonical SMILES for (5-formylthiophen-3-yl)oxyboronic acid is O=Cc1cc(OB(O)O)cs1.
What is the InChIKey of (5-formylthiophen-3-yl)oxyboronic acid?
The InChIKey is SBOVFQDMZAAVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BO4S/c7-2-5-1-4(3-11-5)10-6(8)9/h1-3,8-9H.
What are the key properties of (5-formylthiophen-3-yl)oxyboronic acid?
(5-formylthiophen-3-yl)oxyboronic acid has a molecular weight of 171.97 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-formylthiophen-3-yl)oxyboronic acid is sourced from PubChem (CID 151815900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).