4-bromothiophene-2,3-dicarbaldehyde

C6H3BrO2S — CID 42614189

IUPAC4-bromothiophene-2,3-dicarbaldehyde
SMILESO=Cc1scc(Br)c1C=O
InChIInChI=1S/C6H3BrO2S/c7-5-3-10-6(2-9)4(5)1-8/h1-3H
InChIKeyUCGHJPAWVUCIDP-UHFFFAOYSA-N
MW219.06 g/mol
LogP2.14
Rot. Bonds2

About 4-bromothiophene-2,3-dicarbaldehyde

4-bromothiophene-2,3-dicarbaldehyde (PubChem CID 42614189) has the molecular formula C6H3BrO2S and a molecular weight of 219.06 g/mol. Its IUPAC name is 4-bromothiophene-2,3-dicarbaldehyde.

Molecular Properties

Compound Name4-bromothiophene-2,3-dicarbaldehyde
PubChem CID42614189
Molecular FormulaC6H3BrO2S
Molecular Weight219.06 g/mol
Exact Mass217.90
IUPAC Name4-bromothiophene-2,3-dicarbaldehyde
SMILESO=Cc1scc(Br)c1C=O
InChIInChI=1S/C6H3BrO2S/c7-5-3-10-6(2-9)4(5)1-8/h1-3H
InChIKeyUCGHJPAWVUCIDP-UHFFFAOYSA-N
XLogP2.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.06
LogP ≤ 52.14
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 4-bromothiophene-2,3-dicarbaldehyde?
The IUPAC name of 4-bromothiophene-2,3-dicarbaldehyde (CID 42614189) is 4-bromothiophene-2,3-dicarbaldehyde.
What is the SMILES notation for 4-bromothiophene-2,3-dicarbaldehyde?
The canonical SMILES for 4-bromothiophene-2,3-dicarbaldehyde is O=Cc1scc(Br)c1C=O.
What is the InChIKey of 4-bromothiophene-2,3-dicarbaldehyde?
The InChIKey is UCGHJPAWVUCIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrO2S/c7-5-3-10-6(2-9)4(5)1-8/h1-3H.
What are the key properties of 4-bromothiophene-2,3-dicarbaldehyde?
4-bromothiophene-2,3-dicarbaldehyde has a molecular weight of 219.06 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromothiophene-2,3-dicarbaldehyde is sourced from PubChem (CID 42614189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).