thieno[3,2-b]thiophen-5-ylboronic acid

C6H5BO2S2 — CID 10035286

IUPACthieno[3,2-b]thiophen-5-ylboronic acid
SMILESOB(O)c1cc2sccc2s1
InChIInChI=1S/C6H5BO2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3,8-9H
InChIKeyPVQAASIVXYZXFF-UHFFFAOYSA-N
MW184.05 g/mol
LogP0.64
Rot. Bonds1

About thieno[3,2-b]thiophen-5-ylboronic acid

thieno[3,2-b]thiophen-5-ylboronic acid (PubChem CID 10035286) has the molecular formula C6H5BO2S2 and a molecular weight of 184.05 g/mol. Its IUPAC name is thieno[3,2-b]thiophen-5-ylboronic acid.

Molecular Properties

Compound Namethieno[3,2-b]thiophen-5-ylboronic acid
PubChem CID10035286
Molecular FormulaC6H5BO2S2
Molecular Weight184.05 g/mol
Exact Mass183.98
IUPAC Namethieno[3,2-b]thiophen-5-ylboronic acid
SMILESOB(O)c1cc2sccc2s1
InChIInChI=1S/C6H5BO2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3,8-9H
InChIKeyPVQAASIVXYZXFF-UHFFFAOYSA-N
XLogP0.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.05
LogP ≤ 50.64
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 thieno[3,2-b]thiophen-5-ylboronic acid?
The IUPAC name of thieno[3,2-b]thiophen-5-ylboronic acid (CID 10035286) is thieno[3,2-b]thiophen-5-ylboronic acid.
What is the SMILES notation for thieno[3,2-b]thiophen-5-ylboronic acid?
The canonical SMILES for thieno[3,2-b]thiophen-5-ylboronic acid is OB(O)c1cc2sccc2s1.
What is the InChIKey of thieno[3,2-b]thiophen-5-ylboronic acid?
The InChIKey is PVQAASIVXYZXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BO2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3,8-9H.
What are the key properties of thieno[3,2-b]thiophen-5-ylboronic acid?
thieno[3,2-b]thiophen-5-ylboronic acid has a molecular weight of 184.05 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-b]thiophen-5-ylboronic acid is sourced from PubChem (CID 10035286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).