7-bromo-3-ethyl-1-benzothiophene-4-carbaldehyde

C11H9BrOS — CID 131053752

IUPAC7-bromo-3-ethyl-1-benzothiophene-4-carbaldehyde
SMILESCCc1csc2c(Br)ccc(C=O)c12
InChIInChI=1S/C11H9BrOS/c1-2-7-6-14-11-9(12)4-3-8(5-13)10(7)11/h3-6H,2H2,1H3
InChIKeyRUSUGUYTDXAVDF-UHFFFAOYSA-N
MW269.16 g/mol
LogP4.04
Rot. Bonds2

About 7-bromo-3-ethyl-1-benzothiophene-4-carbaldehyde

7-bromo-3-ethyl-1-benzothiophene-4-carbaldehyde (PubChem CID 131053752) has the molecular formula C11H9BrOS and a molecular weight of 269.16 g/mol. Its IUPAC name is 7-bromo-3-ethyl-1-benzothiophene-4-carbaldehyde.

Molecular Properties

Compound Name7-bromo-3-ethyl-1-benzothiophene-4-carbaldehyde
PubChem CID131053752
Molecular FormulaC11H9BrOS
Molecular Weight269.16 g/mol
Exact Mass267.96
IUPAC Name7-bromo-3-ethyl-1-benzothiophene-4-carbaldehyde
SMILESCCc1csc2c(Br)ccc(C=O)c12
InChIInChI=1S/C11H9BrOS/c1-2-7-6-14-11-9(12)4-3-8(5-13)10(7)11/h3-6H,2H2,1H3
InChIKeyRUSUGUYTDXAVDF-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.16
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-ethyl-1-benzothiophene-4-carbaldehyde?
The IUPAC name of 7-bromo-3-ethyl-1-benzothiophene-4-carbaldehyde (CID 131053752) is 7-bromo-3-ethyl-1-benzothiophene-4-carbaldehyde.
What is the SMILES notation for 7-bromo-3-ethyl-1-benzothiophene-4-carbaldehyde?
The canonical SMILES for 7-bromo-3-ethyl-1-benzothiophene-4-carbaldehyde is CCc1csc2c(Br)ccc(C=O)c12.
What is the InChIKey of 7-bromo-3-ethyl-1-benzothiophene-4-carbaldehyde?
The InChIKey is RUSUGUYTDXAVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrOS/c1-2-7-6-14-11-9(12)4-3-8(5-13)10(7)11/h3-6H,2H2,1H3.
What are the key properties of 7-bromo-3-ethyl-1-benzothiophene-4-carbaldehyde?
7-bromo-3-ethyl-1-benzothiophene-4-carbaldehyde has a molecular weight of 269.16 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-ethyl-1-benzothiophene-4-carbaldehyde is sourced from PubChem (CID 131053752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).