2-thiophen-2-ylacetaldehyde

C6H6OS — CID 6430722

IUPAC2-thiophen-2-ylacetaldehyde
SMILESO=CCc1cccs1
InChIInChI=1S/C6H6OS/c7-4-3-6-2-1-5-8-6/h1-2,4-5H,3H2
InChIKeyJTGKLBDOZYMAEA-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.49
Rot. Bonds2

About 2-thiophen-2-ylacetaldehyde

2-thiophen-2-ylacetaldehyde (PubChem CID 6430722) has the molecular formula C6H6OS and a molecular weight of 126.18 g/mol. Its IUPAC name is 2-thiophen-2-ylacetaldehyde.

Molecular Properties

Compound Name2-thiophen-2-ylacetaldehyde
PubChem CID6430722
Molecular FormulaC6H6OS
Molecular Weight126.18 g/mol
Exact Mass126.01
IUPAC Name2-thiophen-2-ylacetaldehyde
SMILESO=CCc1cccs1
InChIInChI=1S/C6H6OS/c7-4-3-6-2-1-5-8-6/h1-2,4-5H,3H2
InChIKeyJTGKLBDOZYMAEA-UHFFFAOYSA-N
XLogP1.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-thiophen-2-ylacetaldehyde?
The IUPAC name of 2-thiophen-2-ylacetaldehyde (CID 6430722) is 2-thiophen-2-ylacetaldehyde.
What is the SMILES notation for 2-thiophen-2-ylacetaldehyde?
The canonical SMILES for 2-thiophen-2-ylacetaldehyde is O=CCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylacetaldehyde?
The InChIKey is JTGKLBDOZYMAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6OS/c7-4-3-6-2-1-5-8-6/h1-2,4-5H,3H2.
What are the key properties of 2-thiophen-2-ylacetaldehyde?
2-thiophen-2-ylacetaldehyde has a molecular weight of 126.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylacetaldehyde is sourced from PubChem (CID 6430722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).