2-ethoxythiophene-3-carbaldehyde

C7H8O2S — CID 86150855

IUPAC2-ethoxythiophene-3-carbaldehyde
SMILESCCOc1sccc1C=O
InChIInChI=1S/C7H8O2S/c1-2-9-7-6(5-8)3-4-10-7/h3-5H,2H2,1H3
InChIKeyCMDMSANIHGABSV-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.96
Rot. Bonds3

About 2-ethoxythiophene-3-carbaldehyde

2-ethoxythiophene-3-carbaldehyde (PubChem CID 86150855) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-ethoxythiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-ethoxythiophene-3-carbaldehyde
PubChem CID86150855
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name2-ethoxythiophene-3-carbaldehyde
SMILESCCOc1sccc1C=O
InChIInChI=1S/C7H8O2S/c1-2-9-7-6(5-8)3-4-10-7/h3-5H,2H2,1H3
InChIKeyCMDMSANIHGABSV-UHFFFAOYSA-N
XLogP1.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.96
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 2-ethoxythiophene-3-carbaldehyde?
The IUPAC name of 2-ethoxythiophene-3-carbaldehyde (CID 86150855) is 2-ethoxythiophene-3-carbaldehyde.
What is the SMILES notation for 2-ethoxythiophene-3-carbaldehyde?
The canonical SMILES for 2-ethoxythiophene-3-carbaldehyde is CCOc1sccc1C=O.
What is the InChIKey of 2-ethoxythiophene-3-carbaldehyde?
The InChIKey is CMDMSANIHGABSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-2-9-7-6(5-8)3-4-10-7/h3-5H,2H2,1H3.
What are the key properties of 2-ethoxythiophene-3-carbaldehyde?
2-ethoxythiophene-3-carbaldehyde has a molecular weight of 156.21 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxythiophene-3-carbaldehyde is sourced from PubChem (CID 86150855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).