3,4-dibromothiophene-2,5-dicarbaldehyde

C6H2Br2O2S — CID 11266492

IUPAC3,4-dibromothiophene-2,5-dicarbaldehyde
SMILESO=Cc1sc(C=O)c(Br)c1Br
InChIInChI=1S/C6H2Br2O2S/c7-5-3(1-9)11-4(2-10)6(5)8/h1-2H
InChIKeyUIIQKZFRHPLSLU-UHFFFAOYSA-N
MW297.96 g/mol
LogP2.90
Rot. Bonds2

About 3,4-dibromothiophene-2,5-dicarbaldehyde

3,4-dibromothiophene-2,5-dicarbaldehyde (PubChem CID 11266492) has the molecular formula C6H2Br2O2S and a molecular weight of 297.96 g/mol. Its IUPAC name is 3,4-dibromothiophene-2,5-dicarbaldehyde.

Molecular Properties

Compound Name3,4-dibromothiophene-2,5-dicarbaldehyde
PubChem CID11266492
Molecular FormulaC6H2Br2O2S
Molecular Weight297.96 g/mol
Exact Mass295.81
IUPAC Name3,4-dibromothiophene-2,5-dicarbaldehyde
SMILESO=Cc1sc(C=O)c(Br)c1Br
InChIInChI=1S/C6H2Br2O2S/c7-5-3(1-9)11-4(2-10)6(5)8/h1-2H
InChIKeyUIIQKZFRHPLSLU-UHFFFAOYSA-N
XLogP2.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.96
LogP ≤ 52.90
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 3,4-dibromothiophene-2,5-dicarbaldehyde?
The IUPAC name of 3,4-dibromothiophene-2,5-dicarbaldehyde (CID 11266492) is 3,4-dibromothiophene-2,5-dicarbaldehyde.
What is the SMILES notation for 3,4-dibromothiophene-2,5-dicarbaldehyde?
The canonical SMILES for 3,4-dibromothiophene-2,5-dicarbaldehyde is O=Cc1sc(C=O)c(Br)c1Br.
What is the InChIKey of 3,4-dibromothiophene-2,5-dicarbaldehyde?
The InChIKey is UIIQKZFRHPLSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2O2S/c7-5-3(1-9)11-4(2-10)6(5)8/h1-2H.
What are the key properties of 3,4-dibromothiophene-2,5-dicarbaldehyde?
3,4-dibromothiophene-2,5-dicarbaldehyde has a molecular weight of 297.96 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromothiophene-2,5-dicarbaldehyde is sourced from PubChem (CID 11266492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).