(5-thiophen-2-ylthiophen-2-yl)boronic acid

C8H7BO2S2 — CID 2776423

IUPAC(5-thiophen-2-ylthiophen-2-yl)boronic acid
SMILESOB(O)c1ccc(-c2cccs2)s1
InChIInChI=1S/C8H7BO2S2/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5,10-11H
InChIKeyPPHSULIZZOEBDD-UHFFFAOYSA-N
MW210.09 g/mol
LogP1.16
Rot. Bonds2

About (5-thiophen-2-ylthiophen-2-yl)boronic acid

(5-thiophen-2-ylthiophen-2-yl)boronic acid (PubChem CID 2776423) has the molecular formula C8H7BO2S2 and a molecular weight of 210.09 g/mol. Its IUPAC name is (5-thiophen-2-ylthiophen-2-yl)boronic acid.

Molecular Properties

Compound Name(5-thiophen-2-ylthiophen-2-yl)boronic acid
PubChem CID2776423
Molecular FormulaC8H7BO2S2
Molecular Weight210.09 g/mol
Exact Mass210.00
IUPAC Name(5-thiophen-2-ylthiophen-2-yl)boronic acid
SMILESOB(O)c1ccc(-c2cccs2)s1
InChIInChI=1S/C8H7BO2S2/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5,10-11H
InChIKeyPPHSULIZZOEBDD-UHFFFAOYSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (5-thiophen-2-ylthiophen-2-yl)boronic acid?
The IUPAC name of (5-thiophen-2-ylthiophen-2-yl)boronic acid (CID 2776423) is (5-thiophen-2-ylthiophen-2-yl)boronic acid.
What is the SMILES notation for (5-thiophen-2-ylthiophen-2-yl)boronic acid?
The canonical SMILES for (5-thiophen-2-ylthiophen-2-yl)boronic acid is OB(O)c1ccc(-c2cccs2)s1.
What is the InChIKey of (5-thiophen-2-ylthiophen-2-yl)boronic acid?
The InChIKey is PPHSULIZZOEBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BO2S2/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5,10-11H.
What are the key properties of (5-thiophen-2-ylthiophen-2-yl)boronic acid?
(5-thiophen-2-ylthiophen-2-yl)boronic acid has a molecular weight of 210.09 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-ylthiophen-2-yl)boronic acid is sourced from PubChem (CID 2776423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).