2-(5-ethylthiophen-2-yl)acetaldehyde

C8H10OS — CID 63967769

IUPAC2-(5-ethylthiophen-2-yl)acetaldehyde
SMILESCCc1ccc(CC=O)s1
InChIInChI=1S/C8H10OS/c1-2-7-3-4-8(10-7)5-6-9/h3-4,6H,2,5H2,1H3
InChIKeyMGRAZENPLLANNZ-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.05
Rot. Bonds3

About 2-(5-ethylthiophen-2-yl)acetaldehyde

2-(5-ethylthiophen-2-yl)acetaldehyde (PubChem CID 63967769) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)acetaldehyde
PubChem CID63967769
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name2-(5-ethylthiophen-2-yl)acetaldehyde
SMILESCCc1ccc(CC=O)s1
InChIInChI=1S/C8H10OS/c1-2-7-3-4-8(10-7)5-6-9/h3-4,6H,2,5H2,1H3
InChIKeyMGRAZENPLLANNZ-UHFFFAOYSA-N
XLogP2.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-2-thiophenecarboxaldehyde
CID 61663
5-Ethyl-2-thiophenecarboxaldehyde
CID 169830
Thiophene-2,5-dicarbaldehyde
CID 587784
1-(2-Thienyl)acetone
CID 529394
5-(5-Methylthiophen-2-yl)thiophene-2-carbaldehyde
CID 4987278
2-(Thiophen-2-yl)acetaldehyde
CID 6430722
1-(5-Methyl-2-thienyl)-1-propanone
CID 580407
1-(5-Ethylthiophen-2-yl)ethan-1-one
CID 673716
3-(Thiophen-2-yl)propanal
CID 12330407
Junipal
CID 10931604
5-Propylthiophene-2-carbaldehyde
CID 3159601
5-Butylthiophene-2-carbaldehyde
CID 3710536

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)acetaldehyde?
The IUPAC name of 2-(5-ethylthiophen-2-yl)acetaldehyde (CID 63967769) is 2-(5-ethylthiophen-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)acetaldehyde is CCc1ccc(CC=O)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)acetaldehyde?
The InChIKey is MGRAZENPLLANNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-2-7-3-4-8(10-7)5-6-9/h3-4,6H,2,5H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)acetaldehyde?
2-(5-ethylthiophen-2-yl)acetaldehyde has a molecular weight of 154.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)acetaldehyde is sourced from PubChem (CID 63967769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).