3,4-dibromothiophene-2-carbaldehyde

C5H2Br2OS — CID 12559528

IUPAC3,4-dibromothiophene-2-carbaldehyde
SMILESO=Cc1scc(Br)c1Br
InChIInChI=1S/C5H2Br2OS/c6-3-2-9-4(1-8)5(3)7/h1-2H
InChIKeyQCCFUWPEUHXQMH-UHFFFAOYSA-N
MW269.94 g/mol
LogP3.09
Rot. Bonds1

About 3,4-dibromothiophene-2-carbaldehyde

3,4-dibromothiophene-2-carbaldehyde (PubChem CID 12559528) has the molecular formula C5H2Br2OS and a molecular weight of 269.94 g/mol. Its IUPAC name is 3,4-dibromothiophene-2-carbaldehyde.

Molecular Properties

Compound Name3,4-dibromothiophene-2-carbaldehyde
PubChem CID12559528
Molecular FormulaC5H2Br2OS
Molecular Weight269.94 g/mol
Exact Mass267.82
IUPAC Name3,4-dibromothiophene-2-carbaldehyde
SMILESO=Cc1scc(Br)c1Br
InChIInChI=1S/C5H2Br2OS/c6-3-2-9-4(1-8)5(3)7/h1-2H
InChIKeyQCCFUWPEUHXQMH-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.94
LogP ≤ 53.09
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

5-Bromothiophene-2-carbaldehyde
CID 78428
4-Bromothiophene-2-carbaldehyde
CID 87792
4,5-Dibromothiophene-2-carbaldehyde
CID 813164
2-Bromo-1-(3,4-dibromothiophen-2-yl)ethanone
CID 22712543
3,5-Dibromothiophene-2-carbaldehyde
CID 819040
3-Bromothiophene-2-carboxaldehyde
CID 2797079
3,4-Dibromothiophene-2,5-dicarboxaldehyde
CID 11266492
4-Bromo-5-methylthiophene-2-carbaldehyde
CID 15538212
3-Bromo-5-iodothiophene-2-carbaldehyde
CID 155943400
4-Bromo-3-methylthiophene-2-carbaldehyde
CID 818886
4,5-Dibromo-3-methylthiophene-2-carbaldehyde
CID 7096355
3-Bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde
CID 131357282

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromothiophene-2-carbaldehyde?
The IUPAC name of 3,4-dibromothiophene-2-carbaldehyde (CID 12559528) is 3,4-dibromothiophene-2-carbaldehyde.
What is the SMILES notation for 3,4-dibromothiophene-2-carbaldehyde?
The canonical SMILES for 3,4-dibromothiophene-2-carbaldehyde is O=Cc1scc(Br)c1Br.
What is the InChIKey of 3,4-dibromothiophene-2-carbaldehyde?
The InChIKey is QCCFUWPEUHXQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Br2OS/c6-3-2-9-4(1-8)5(3)7/h1-2H.
What are the key properties of 3,4-dibromothiophene-2-carbaldehyde?
3,4-dibromothiophene-2-carbaldehyde has a molecular weight of 269.94 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromothiophene-2-carbaldehyde is sourced from PubChem (CID 12559528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).