4-bromothieno[2,3-c]thiophene-6-carbaldehyde

C7H3BrOS2 — CID 175029996

IUPAC4-bromothieno[2,3-c]thiophene-6-carbaldehyde
SMILESO=Cc1sc(Br)c2ccsc12
InChIInChI=1S/C7H3BrOS2/c8-7-4-1-2-10-6(4)5(3-9)11-7/h1-3H
InChIKeyQZMRDKNYIVZBSO-UHFFFAOYSA-N
MW247.14 g/mol
LogP3.54
Rot. Bonds1

About 4-bromothieno[2,3-c]thiophene-6-carbaldehyde

4-bromothieno[2,3-c]thiophene-6-carbaldehyde (PubChem CID 175029996) has the molecular formula C7H3BrOS2 and a molecular weight of 247.14 g/mol. Its IUPAC name is 4-bromothieno[2,3-c]thiophene-6-carbaldehyde.

Molecular Properties

Compound Name4-bromothieno[2,3-c]thiophene-6-carbaldehyde
PubChem CID175029996
Molecular FormulaC7H3BrOS2
Molecular Weight247.14 g/mol
Exact Mass245.88
IUPAC Name4-bromothieno[2,3-c]thiophene-6-carbaldehyde
SMILESO=Cc1sc(Br)c2ccsc12
InChIInChI=1S/C7H3BrOS2/c8-7-4-1-2-10-6(4)5(3-9)11-7/h1-3H
InChIKeyQZMRDKNYIVZBSO-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 53.54
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-bromothieno[2,3-c]thiophene-6-carbaldehyde?
The IUPAC name of 4-bromothieno[2,3-c]thiophene-6-carbaldehyde (CID 175029996) is 4-bromothieno[2,3-c]thiophene-6-carbaldehyde.
What is the SMILES notation for 4-bromothieno[2,3-c]thiophene-6-carbaldehyde?
The canonical SMILES for 4-bromothieno[2,3-c]thiophene-6-carbaldehyde is O=Cc1sc(Br)c2ccsc12.
What is the InChIKey of 4-bromothieno[2,3-c]thiophene-6-carbaldehyde?
The InChIKey is QZMRDKNYIVZBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrOS2/c8-7-4-1-2-10-6(4)5(3-9)11-7/h1-3H.
What are the key properties of 4-bromothieno[2,3-c]thiophene-6-carbaldehyde?
4-bromothieno[2,3-c]thiophene-6-carbaldehyde has a molecular weight of 247.14 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromothieno[2,3-c]thiophene-6-carbaldehyde is sourced from PubChem (CID 175029996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).