5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde

C13H8O2S2 — CID 817927

IUPAC5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3cccs3)o2)s1
InChIInChI=1S/C13H8O2S2/c14-8-9-3-6-13(17-9)11-5-4-10(15-11)12-2-1-7-16-12/h1-8H
InChIKeyNWKARVWAOBILCX-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.55
Rot. Bonds3

About 5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde

5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde (PubChem CID 817927) has the molecular formula C13H8O2S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde
PubChem CID817927
Molecular FormulaC13H8O2S2
Molecular Weight260.34 g/mol
Exact Mass260.00
IUPAC Name5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3cccs3)o2)s1
InChIInChI=1S/C13H8O2S2/c14-8-9-3-6-13(17-9)11-5-4-10(15-11)12-2-1-7-16-12/h1-8H
InChIKeyNWKARVWAOBILCX-UHFFFAOYSA-N
XLogP4.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde (CID 817927) is 5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc(-c3cccs3)o2)s1.
What is the InChIKey of 5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde?
The InChIKey is NWKARVWAOBILCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2S2/c14-8-9-3-6-13(17-9)11-5-4-10(15-11)12-2-1-7-16-12/h1-8H.
What are the key properties of 5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde?
5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde has a molecular weight of 260.34 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 817927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).