5-(furan-3-yl)thiophene-2-carbaldehyde

C9H6O2S — CID 141362876

IUPAC5-(furan-3-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccoc2)s1
InChIInChI=1S/C9H6O2S/c10-5-8-1-2-9(12-8)7-3-4-11-6-7/h1-6H
InChIKeySHKOQINYUANNDH-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.82
Rot. Bonds2

About 5-(furan-3-yl)thiophene-2-carbaldehyde

5-(furan-3-yl)thiophene-2-carbaldehyde (PubChem CID 141362876) has the molecular formula C9H6O2S and a molecular weight of 178.21 g/mol. Its IUPAC name is 5-(furan-3-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(furan-3-yl)thiophene-2-carbaldehyde
PubChem CID141362876
Molecular FormulaC9H6O2S
Molecular Weight178.21 g/mol
Exact Mass178.01
IUPAC Name5-(furan-3-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccoc2)s1
InChIInChI=1S/C9H6O2S/c10-5-8-1-2-9(12-8)7-3-4-11-6-7/h1-6H
InChIKeySHKOQINYUANNDH-UHFFFAOYSA-N
XLogP2.82
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.82
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 5-(furan-3-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(furan-3-yl)thiophene-2-carbaldehyde (CID 141362876) is 5-(furan-3-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(furan-3-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(furan-3-yl)thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccoc2)s1.
What is the InChIKey of 5-(furan-3-yl)thiophene-2-carbaldehyde?
The InChIKey is SHKOQINYUANNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2S/c10-5-8-1-2-9(12-8)7-3-4-11-6-7/h1-6H.
What are the key properties of 5-(furan-3-yl)thiophene-2-carbaldehyde?
5-(furan-3-yl)thiophene-2-carbaldehyde has a molecular weight of 178.21 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 141362876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).