4,5-bis(ethenyl)thiophene-3-carbaldehyde

C9H8OS — CID 144533101

IUPAC4,5-bis(ethenyl)thiophene-3-carbaldehyde
SMILESC=Cc1scc(C=O)c1C=C
InChIInChI=1S/C9H8OS/c1-3-8-7(5-10)6-11-9(8)4-2/h3-6H,1-2H2
InChIKeyZDXNQPFYYXBELG-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.85
Rot. Bonds3

About 4,5-bis(ethenyl)thiophene-3-carbaldehyde

4,5-bis(ethenyl)thiophene-3-carbaldehyde (PubChem CID 144533101) has the molecular formula C9H8OS and a molecular weight of 164.23 g/mol. Its IUPAC name is 4,5-bis(ethenyl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name4,5-bis(ethenyl)thiophene-3-carbaldehyde
PubChem CID144533101
Molecular FormulaC9H8OS
Molecular Weight164.23 g/mol
Exact Mass164.03
IUPAC Name4,5-bis(ethenyl)thiophene-3-carbaldehyde
SMILESC=Cc1scc(C=O)c1C=C
InChIInChI=1S/C9H8OS/c1-3-8-7(5-10)6-11-9(8)4-2/h3-6H,1-2H2
InChIKeyZDXNQPFYYXBELG-UHFFFAOYSA-N
XLogP2.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde
CID 138612930
thiophene-2,3,4-tricarbaldehyde
CID 130024628
4-butan-2-yl-2,3-bis(ethenyl)thiophene
CID 155694915
2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde
CID 163903567
4-bromothiophene-2,3-dicarbaldehyde
CID 42614189
4,5-dimethylthiophene-3-carbaldehyde
CID 14335813
2-ethenyl-3-fluorobenzaldehyde
CID 86657571
3,4-diethylthiophene-2-carbaldehyde
CID 139961983
2-ethenyl-3-methoxybenzaldehyde
CID 10487197
4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde
CID 169200071
3-ethyl-4-methylthiophene-2-carbaldehyde
CID 82416519
2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde
CID 87118157

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)thiophene-3-carbaldehyde?
The IUPAC name of 4,5-bis(ethenyl)thiophene-3-carbaldehyde (CID 144533101) is 4,5-bis(ethenyl)thiophene-3-carbaldehyde.
What is the SMILES notation for 4,5-bis(ethenyl)thiophene-3-carbaldehyde?
The canonical SMILES for 4,5-bis(ethenyl)thiophene-3-carbaldehyde is C=Cc1scc(C=O)c1C=C.
What is the InChIKey of 4,5-bis(ethenyl)thiophene-3-carbaldehyde?
The InChIKey is ZDXNQPFYYXBELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8OS/c1-3-8-7(5-10)6-11-9(8)4-2/h3-6H,1-2H2.
What are the key properties of 4,5-bis(ethenyl)thiophene-3-carbaldehyde?
4,5-bis(ethenyl)thiophene-3-carbaldehyde has a molecular weight of 164.23 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)thiophene-3-carbaldehyde is sourced from PubChem (CID 144533101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).