2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde

C11H8OS2 — CID 163903567

IUPAC2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde
SMILESC=Cc1ccsc1-c1sccc1C=O
InChIInChI=1S/C11H8OS2/c1-2-8-3-5-13-10(8)11-9(7-12)4-6-14-11/h2-7H,1H2
InChIKeyQLYOMZBFVDJPHO-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.93
Rot. Bonds3

About 2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde

2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde (PubChem CID 163903567) has the molecular formula C11H8OS2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde
PubChem CID163903567
Molecular FormulaC11H8OS2
Molecular Weight220.32 g/mol
Exact Mass220.00
IUPAC Name2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde
SMILESC=Cc1ccsc1-c1sccc1C=O
InChIInChI=1S/C11H8OS2/c1-2-8-3-5-13-10(8)11-9(7-12)4-6-14-11/h2-7H,1H2
InChIKeyQLYOMZBFVDJPHO-UHFFFAOYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde?
The IUPAC name of 2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde (CID 163903567) is 2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde.
What is the SMILES notation for 2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde?
The canonical SMILES for 2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde is C=Cc1ccsc1-c1sccc1C=O.
What is the InChIKey of 2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde?
The InChIKey is QLYOMZBFVDJPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8OS2/c1-2-8-3-5-13-10(8)11-9(7-12)4-6-14-11/h2-7H,1H2.
What are the key properties of 2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde?
2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde has a molecular weight of 220.32 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde is sourced from PubChem (CID 163903567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).