[(E)-2-thiophen-2-ylethenyl]boronic acid

C6H7BO2S — CID 24886635

IUPAC[(E)-2-thiophen-2-ylethenyl]boronic acid
SMILESOB(O)/C=C/c1cccs1
InChIInChI=1S/C6H7BO2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5,8-9H/b4-3+
InChIKeyYTNCGWOOWFQXLW-ONEGZZNKSA-N
MW154.00 g/mol
LogP0.77
Rot. Bonds2

About [(E)-2-thiophen-2-ylethenyl]boronic acid

[(E)-2-thiophen-2-ylethenyl]boronic acid (PubChem CID 24886635) has the molecular formula C6H7BO2S and a molecular weight of 154.00 g/mol. Its IUPAC name is [(E)-2-thiophen-2-ylethenyl]boronic acid.

Molecular Properties

Compound Name[(E)-2-thiophen-2-ylethenyl]boronic acid
PubChem CID24886635
Molecular FormulaC6H7BO2S
Molecular Weight154.00 g/mol
Exact Mass154.03
IUPAC Name[(E)-2-thiophen-2-ylethenyl]boronic acid
SMILESOB(O)/C=C/c1cccs1
InChIInChI=1S/C6H7BO2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5,8-9H/b4-3+
InChIKeyYTNCGWOOWFQXLW-ONEGZZNKSA-N
XLogP0.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.00
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(E)-2-thiophen-2-ylethenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-2-thiophen-2-ylethenyl]boronic acid?
The IUPAC name of [(E)-2-thiophen-2-ylethenyl]boronic acid (CID 24886635) is [(E)-2-thiophen-2-ylethenyl]boronic acid.
What is the SMILES notation for [(E)-2-thiophen-2-ylethenyl]boronic acid?
The canonical SMILES for [(E)-2-thiophen-2-ylethenyl]boronic acid is OB(O)/C=C/c1cccs1.
What is the InChIKey of [(E)-2-thiophen-2-ylethenyl]boronic acid?
The InChIKey is YTNCGWOOWFQXLW-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H7BO2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5,8-9H/b4-3+.
What are the key properties of [(E)-2-thiophen-2-ylethenyl]boronic acid?
[(E)-2-thiophen-2-ylethenyl]boronic acid has a molecular weight of 154.00 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-thiophen-2-ylethenyl]boronic acid is sourced from PubChem (CID 24886635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).