6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde

C11H11NOS — CID 130898262

IUPAC6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde
SMILESCCc1c(N)cc(C=O)c2ccsc12
InChIInChI=1S/C11H11NOS/c1-2-8-10(12)5-7(6-13)9-3-4-14-11(8)9/h3-6H,2,12H2,1H3
InChIKeyAWHZDUDUQAMLFO-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.86
Rot. Bonds2

About 6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde

6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde (PubChem CID 130898262) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde.

Molecular Properties

Compound Name6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde
PubChem CID130898262
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde
SMILESCCc1c(N)cc(C=O)c2ccsc12
InChIInChI=1S/C11H11NOS/c1-2-8-10(12)5-7(6-13)9-3-4-14-11(8)9/h3-6H,2,12H2,1H3
InChIKeyAWHZDUDUQAMLFO-UHFFFAOYSA-N
XLogP2.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde
CID 131030928
7-amino-6-iodo-1-benzothiophene-4-carbaldehyde
CID 130956743
7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde
CID 131196397
5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130913439
6-chloro-7-ethyl-1-benzothiophene-3-carbaldehyde
CID 131029361
4-ethyl-5-methyl-1-benzothiophene-6-carbaldehyde
CID 130816876
4-ethyl-7-sulfanyl-1-benzothiophene-6-carbaldehyde
CID 131196622
6,7-difluoro-1-benzothiophene-4-carbaldehyde
CID 130961010
3-amino-2-ethylbenzaldehyde
CID 22259616
7-amino-4-(hydroxymethyl)-1-benzothiophene-6-carbaldehyde
CID 130816485
4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde
CID 130855197
7-bromo-6-ethyl-1-benzothiophen-4-amine
CID 131091615

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde?
The IUPAC name of 6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde (CID 130898262) is 6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde.
What is the SMILES notation for 6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde?
The canonical SMILES for 6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde is CCc1c(N)cc(C=O)c2ccsc12.
What is the InChIKey of 6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde?
The InChIKey is AWHZDUDUQAMLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-2-8-10(12)5-7(6-13)9-3-4-14-11(8)9/h3-6H,2,12H2,1H3.
What are the key properties of 6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde?
6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde has a molecular weight of 205.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde is sourced from PubChem (CID 130898262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).