5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde

C11H9ClOS — CID 130984991

IUPAC5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde
SMILESCCc1cc2sccc2c(C=O)c1Cl
InChIInChI=1S/C11H9ClOS/c1-2-7-5-10-8(3-4-14-10)9(6-13)11(7)12/h3-6H,2H2,1H3
InChIKeyWNCCOANSFGQEGM-UHFFFAOYSA-N
MW224.71 g/mol
LogP3.93
Rot. Bonds2

About 5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde

5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde (PubChem CID 130984991) has the molecular formula C11H9ClOS and a molecular weight of 224.71 g/mol. Its IUPAC name is 5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde
PubChem CID130984991
Molecular FormulaC11H9ClOS
Molecular Weight224.71 g/mol
Exact Mass224.01
IUPAC Name5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde
SMILESCCc1cc2sccc2c(C=O)c1Cl
InChIInChI=1S/C11H9ClOS/c1-2-7-5-10-8(3-4-14-10)9(6-13)11(7)12/h3-6H,2H2,1H3
InChIKeyWNCCOANSFGQEGM-UHFFFAOYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.71
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde?
The IUPAC name of 5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde (CID 130984991) is 5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde.
What is the SMILES notation for 5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde?
The canonical SMILES for 5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde is CCc1cc2sccc2c(C=O)c1Cl.
What is the InChIKey of 5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde?
The InChIKey is WNCCOANSFGQEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClOS/c1-2-7-5-10-8(3-4-14-10)9(6-13)11(7)12/h3-6H,2H2,1H3.
What are the key properties of 5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde?
5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde has a molecular weight of 224.71 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde is sourced from PubChem (CID 130984991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).