3-ethyl-1-benzothiophene-2-carbaldehyde

C11H10OS — CID 82374273

IUPAC3-ethyl-1-benzothiophene-2-carbaldehyde
SMILESCCc1c(C=O)sc2ccccc12
InChIInChI=1S/C11H10OS/c1-2-8-9-5-3-4-6-10(9)13-11(8)7-12/h3-7H,2H2,1H3
InChIKeyAGJSPMQQHIWYBP-UHFFFAOYSA-N
MW190.27 g/mol
LogP3.28
Rot. Bonds2

About 3-ethyl-1-benzothiophene-2-carbaldehyde

3-ethyl-1-benzothiophene-2-carbaldehyde (PubChem CID 82374273) has the molecular formula C11H10OS and a molecular weight of 190.27 g/mol. Its IUPAC name is 3-ethyl-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-1-benzothiophene-2-carbaldehyde
PubChem CID82374273
Molecular FormulaC11H10OS
Molecular Weight190.27 g/mol
Exact Mass190.05
IUPAC Name3-ethyl-1-benzothiophene-2-carbaldehyde
SMILESCCc1c(C=O)sc2ccccc12
InChIInChI=1S/C11H10OS/c1-2-8-9-5-3-4-6-10(9)13-11(8)7-12/h3-7H,2H2,1H3
InChIKeyAGJSPMQQHIWYBP-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-6-methyl-1-benzothiophene-2-carbaldehyde
CID 131078285
3-ethyl-5-fluoro-1-benzothiophene-2-carbaldehyde
CID 130814481
3-ethylthieno[2,3-c]pyridine-2-carbaldehyde
CID 82374277
3-[(4-methoxyphenyl)methyl]-1-benzothiophene-2-carbaldehyde
CID 138574709
3-ethyl-7-methyl-1-benzothiophene-2-carbaldehyde
CID 131124494
3-ethylthieno[2,3-b]pyridine-2-carbaldehyde
CID 82374274
2-formylbenzo[b]thiophene-3-selenol
CID 12506015
3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde
CID 102393562
2-tert-butyl-3-ethyl-1-benzothiophene
CID 20751467
3-(4-methylphenoxy)-1-benzothiophene-2-carbaldehyde
CID 141399703
3-nitro-1-benzothiophene-2-carbaldehyde
CID 11074576
3-propyl-1-benzothiophen-2-ol
CID 69483518

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 3-ethyl-1-benzothiophene-2-carbaldehyde (CID 82374273) is 3-ethyl-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 3-ethyl-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 3-ethyl-1-benzothiophene-2-carbaldehyde is CCc1c(C=O)sc2ccccc12.
What is the InChIKey of 3-ethyl-1-benzothiophene-2-carbaldehyde?
The InChIKey is AGJSPMQQHIWYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS/c1-2-8-9-5-3-4-6-10(9)13-11(8)7-12/h3-7H,2H2,1H3.
What are the key properties of 3-ethyl-1-benzothiophene-2-carbaldehyde?
3-ethyl-1-benzothiophene-2-carbaldehyde has a molecular weight of 190.27 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 82374273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).