2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde

C14H8O2S3 — CID 87118157

IUPAC2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde
SMILESO=Cc1csc(-c2ccc(-c3cccs3)s2)c1C=O
InChIInChI=1S/C14H8O2S3/c15-6-9-8-18-14(10(9)7-16)13-4-3-12(19-13)11-2-1-5-17-11/h1-8H
InChIKeyFNQWFMIJKBZBOU-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.83
Rot. Bonds4

About 2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde

2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde (PubChem CID 87118157) has the molecular formula C14H8O2S3 and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde.

Molecular Properties

Compound Name2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde
PubChem CID87118157
Molecular FormulaC14H8O2S3
Molecular Weight304.42 g/mol
Exact Mass303.97
IUPAC Name2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde
SMILESO=Cc1csc(-c2ccc(-c3cccs3)s2)c1C=O
InChIInChI=1S/C14H8O2S3/c15-6-9-8-18-14(10(9)7-16)13-4-3-12(19-13)11-2-1-5-17-11/h1-8H
InChIKeyFNQWFMIJKBZBOU-UHFFFAOYSA-N
XLogP4.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde
CID 57321364
2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde
CID 122234024
3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde
CID 141257903
2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene
CID 177465253
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
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
[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid
CID 101473229
3,4-dihexyl-2-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 90025368
2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde
CID 143972105
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride
CID 58729671

Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde?
The IUPAC name of 2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde (CID 87118157) is 2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde.
What is the SMILES notation for 2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde?
The canonical SMILES for 2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde is O=Cc1csc(-c2ccc(-c3cccs3)s2)c1C=O.
What is the InChIKey of 2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde?
The InChIKey is FNQWFMIJKBZBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2S3/c15-6-9-8-18-14(10(9)7-16)13-4-3-12(19-13)11-2-1-5-17-11/h1-8H.
What are the key properties of 2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde?
2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde has a molecular weight of 304.42 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde is sourced from PubChem (CID 87118157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).