2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde

C14H10OS3 — CID 143972105

IUPAC2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde
SMILESO=CC1=CC=CC(c2ccc(-c3cccs3)s2)S1
InChIInChI=1S/C14H10OS3/c15-9-10-3-1-4-12(17-10)14-7-6-13(18-14)11-5-2-8-16-11/h1-9,12H
InChIKeyPFIQWTBEXWFRRV-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.90
Rot. Bonds3

About 2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde

2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde (PubChem CID 143972105) has the molecular formula C14H10OS3 and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde.

Molecular Properties

Compound Name2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde
PubChem CID143972105
Molecular FormulaC14H10OS3
Molecular Weight290.43 g/mol
Exact Mass289.99
IUPAC Name2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde
SMILESO=CC1=CC=CC(c2ccc(-c3cccs3)s2)S1
InChIInChI=1S/C14H10OS3/c15-9-10-3-1-4-12(17-10)14-7-6-13(18-14)11-5-2-8-16-11/h1-9,12H
InChIKeyPFIQWTBEXWFRRV-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide
CID 162275359
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde
CID 87118157
2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde
CID 122234024
5-(5-thiophen-2-ylthiophen-2-yl)imidazolidine-2,4-dione
CID 57390260
2-(2,3-dihydrothiophen-2-yl)-5-thiophen-2-ylthiophene
CID 123291571
2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde
CID 57321364
dimethyl 2,6-dimethyl-4-(5-thiophen-2-ylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrate
CID 51057606
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride
CID 58729671
3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde
CID 141257903
tris(5-thiophen-2-ylthiophen-2-yl)phosphane
CID 101444105
2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone
CID 130133420

Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde?
The IUPAC name of 2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde (CID 143972105) is 2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde.
What is the SMILES notation for 2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde?
The canonical SMILES for 2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde is O=CC1=CC=CC(c2ccc(-c3cccs3)s2)S1.
What is the InChIKey of 2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde?
The InChIKey is PFIQWTBEXWFRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10OS3/c15-9-10-3-1-4-12(17-10)14-7-6-13(18-14)11-5-2-8-16-11/h1-9,12H.
What are the key properties of 2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde?
2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde has a molecular weight of 290.43 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde is sourced from PubChem (CID 143972105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).