4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde

C7H8BrNOS — CID 96590788

IUPAC4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde
SMILESCN(C)c1sc(C=O)cc1Br
InChIInChI=1S/C7H8BrNOS/c1-9(2)7-6(8)3-5(4-10)11-7/h3-4H,1-2H3
InChIKeyCZJPFRXJXFBBMA-UHFFFAOYSA-N
MW234.12 g/mol
LogP2.39
Rot. Bonds2

About 4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde

4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde (PubChem CID 96590788) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is 4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde
PubChem CID96590788
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde
SMILESCN(C)c1sc(C=O)cc1Br
InChIInChI=1S/C7H8BrNOS/c1-9(2)7-6(8)3-5(4-10)11-7/h3-4H,1-2H3
InChIKeyCZJPFRXJXFBBMA-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 52.39
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-bromo-5-(dimethylamino)thiophene-2-carbaldehyde?
The IUPAC name of 4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde (CID 96590788) is 4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde.
What is the SMILES notation for 4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde?
The canonical SMILES for 4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde is CN(C)c1sc(C=O)cc1Br.
What is the InChIKey of 4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde?
The InChIKey is CZJPFRXJXFBBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c1-9(2)7-6(8)3-5(4-10)11-7/h3-4H,1-2H3.
What are the key properties of 4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde?
4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde has a molecular weight of 234.12 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(dimethylamino)thiophene-2-carbaldehyde is sourced from PubChem (CID 96590788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).