6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde

C11H9ClOS — CID 131029361

IUPAC6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde
SMILESCCc1c(Cl)ccc2c(C=O)csc12
InChIInChI=1S/C11H9ClOS/c1-2-8-10(12)4-3-9-7(5-13)6-14-11(8)9/h3-6H,2H2,1H3
InChIKeyYIZUSJRVPWOWNC-UHFFFAOYSA-N
MW224.71 g/mol
LogP3.93
Rot. Bonds2

About 6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde

6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde (PubChem CID 131029361) has the molecular formula C11H9ClOS and a molecular weight of 224.71 g/mol. Its IUPAC name is 6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde
PubChem CID131029361
Molecular FormulaC11H9ClOS
Molecular Weight224.71 g/mol
Exact Mass224.01
IUPAC Name6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde
SMILESCCc1c(Cl)ccc2c(C=O)csc12
InChIInChI=1S/C11H9ClOS/c1-2-8-10(12)4-3-9-7(5-13)6-14-11(8)9/h3-6H,2H2,1H3
InChIKeyYIZUSJRVPWOWNC-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde?
The IUPAC name of 6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde (CID 131029361) is 6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde.
What is the SMILES notation for 6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde?
The canonical SMILES for 6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde is CCc1c(Cl)ccc2c(C=O)csc12.
What is the InChIKey of 6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde?
The InChIKey is YIZUSJRVPWOWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClOS/c1-2-8-10(12)4-3-9-7(5-13)6-14-11(8)9/h3-6H,2H2,1H3.
What are the key properties of 6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde?
6-chloro-7-ethyl-1-benzothiophene-3-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 6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde is sourced from PubChem (CID 131029361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).