thieno[2,3-b][1]benzofuran-7-carbaldehyde

C11H6O2S — CID 139986810

IUPACthieno[2,3-b][1]benzofuran-7-carbaldehyde
SMILESO=Cc1ccc2oc3sccc3c2c1
InChIInChI=1S/C11H6O2S/c12-6-7-1-2-10-9(5-7)8-3-4-14-11(8)13-10/h1-6H
InChIKeyMWQTUOAFVWFLEV-UHFFFAOYSA-N
MW202.23 g/mol
LogP3.46
Rot. Bonds1

About thieno[2,3-b][1]benzofuran-7-carbaldehyde

thieno[2,3-b][1]benzofuran-7-carbaldehyde (PubChem CID 139986810) has the molecular formula C11H6O2S and a molecular weight of 202.23 g/mol. Its IUPAC name is thieno[2,3-b][1]benzofuran-7-carbaldehyde.

Molecular Properties

Compound Namethieno[2,3-b][1]benzofuran-7-carbaldehyde
PubChem CID139986810
Molecular FormulaC11H6O2S
Molecular Weight202.23 g/mol
Exact Mass202.01
IUPAC Namethieno[2,3-b][1]benzofuran-7-carbaldehyde
SMILESO=Cc1ccc2oc3sccc3c2c1
InChIInChI=1S/C11H6O2S/c12-6-7-1-2-10-9(5-7)8-3-4-14-11(8)13-10/h1-6H
InChIKeyMWQTUOAFVWFLEV-UHFFFAOYSA-N
XLogP3.46
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thieno[2,3-b][1]benzofuran-7-carbaldehyde?
The IUPAC name of thieno[2,3-b][1]benzofuran-7-carbaldehyde (CID 139986810) is thieno[2,3-b][1]benzofuran-7-carbaldehyde.
What is the SMILES notation for thieno[2,3-b][1]benzofuran-7-carbaldehyde?
The canonical SMILES for thieno[2,3-b][1]benzofuran-7-carbaldehyde is O=Cc1ccc2oc3sccc3c2c1.
What is the InChIKey of thieno[2,3-b][1]benzofuran-7-carbaldehyde?
The InChIKey is MWQTUOAFVWFLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6O2S/c12-6-7-1-2-10-9(5-7)8-3-4-14-11(8)13-10/h1-6H.
What are the key properties of thieno[2,3-b][1]benzofuran-7-carbaldehyde?
thieno[2,3-b][1]benzofuran-7-carbaldehyde has a molecular weight of 202.23 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-b][1]benzofuran-7-carbaldehyde is sourced from PubChem (CID 139986810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).