2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde

C13H10OS2 — CID 122234024

IUPAC2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde
SMILESO=CC1=C(c2ccc(-c3cccs3)s2)CC1
InChIInChI=1S/C13H10OS2/c14-8-9-3-4-10(9)11-5-6-13(16-11)12-2-1-7-15-12/h1-2,5-8H,3-4H2
InChIKeyWOKGVNSXVYCJHB-UHFFFAOYSA-N
MW246.36 g/mol
LogP4.22
Rot. Bonds3

About 2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde

2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde (PubChem CID 122234024) has the molecular formula C13H10OS2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde.

Molecular Properties

Compound Name2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde
PubChem CID122234024
Molecular FormulaC13H10OS2
Molecular Weight246.36 g/mol
Exact Mass246.02
IUPAC Name2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde
SMILESO=CC1=C(c2ccc(-c3cccs3)s2)CC1
InChIInChI=1S/C13H10OS2/c14-8-9-3-4-10(9)11-5-6-13(16-11)12-2-1-7-15-12/h1-2,5-8H,3-4H2
InChIKeyWOKGVNSXVYCJHB-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde
CID 11172512
2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde
CID 87118157
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde
CID 57321364
2-prop-1-enyl-5-thiophen-2-ylthiophene
CID 54395841
2-[(Z)-prop-1-enyl]-5-thiophen-2-ylthiophene
CID 67628912
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride
CID 58729671
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate
CID 19788970
3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
CID 59476051
3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde
CID 141257903
tris(5-thiophen-2-ylthiophen-2-yl)phosphane
CID 101444105

Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde?
The IUPAC name of 2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde (CID 122234024) is 2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde.
What is the SMILES notation for 2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde?
The canonical SMILES for 2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde is O=CC1=C(c2ccc(-c3cccs3)s2)CC1.
What is the InChIKey of 2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde?
The InChIKey is WOKGVNSXVYCJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS2/c14-8-9-3-4-10(9)11-5-6-13(16-11)12-2-1-7-15-12/h1-2,5-8H,3-4H2.
What are the key properties of 2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde?
2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde has a molecular weight of 246.36 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde is sourced from PubChem (CID 122234024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).