thiophen-2-ylboronic acid

C4H5BO2S — CID 2733960

IUPACthiophen-2-ylboronic acid
SMILESOB(O)c1cccs1
InChIInChI=1S/C4H5BO2S/c6-5(7)4-2-1-3-8-4/h1-3,6-7H
InChIKeyARYHTUPFQTUBBG-UHFFFAOYSA-N
MW127.96 g/mol
LogP-0.57
Rot. Bonds1

About thiophen-2-ylboronic acid

thiophen-2-ylboronic acid (PubChem CID 2733960) has the molecular formula C4H5BO2S and a molecular weight of 127.96 g/mol. Its IUPAC name is thiophen-2-ylboronic acid.

Molecular Properties

Compound Namethiophen-2-ylboronic acid
PubChem CID2733960
Molecular FormulaC4H5BO2S
Molecular Weight127.96 g/mol
Exact Mass128.01
IUPAC Namethiophen-2-ylboronic acid
SMILESOB(O)c1cccs1
InChIInChI=1S/C4H5BO2S/c6-5(7)4-2-1-3-8-4/h1-3,6-7H
InChIKeyARYHTUPFQTUBBG-UHFFFAOYSA-N
XLogP-0.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.96
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylboronic acid?
The IUPAC name of thiophen-2-ylboronic acid (CID 2733960) is thiophen-2-ylboronic acid.
What is the SMILES notation for thiophen-2-ylboronic acid?
The canonical SMILES for thiophen-2-ylboronic acid is OB(O)c1cccs1.
What is the InChIKey of thiophen-2-ylboronic acid?
The InChIKey is ARYHTUPFQTUBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BO2S/c6-5(7)4-2-1-3-8-4/h1-3,6-7H.
What are the key properties of thiophen-2-ylboronic acid?
thiophen-2-ylboronic acid has a molecular weight of 127.96 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylboronic acid is sourced from PubChem (CID 2733960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).