7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde

C12H12OS — CID 131196397

IUPAC7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde
SMILESCCc1cc(C=O)c(C)c2ccsc12
InChIInChI=1S/C12H12OS/c1-3-9-6-10(7-13)8(2)11-4-5-14-12(9)11/h4-7H,3H2,1-2H3
InChIKeyLVNMNLVFFSLIAN-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.58
Rot. Bonds2

About 7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde

7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde (PubChem CID 131196397) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde.

Molecular Properties

Compound Name7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde
PubChem CID131196397
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde
SMILESCCc1cc(C=O)c(C)c2ccsc12
InChIInChI=1S/C12H12OS/c1-3-9-6-10(7-13)8(2)11-4-5-14-12(9)11/h4-7H,3H2,1-2H3
InChIKeyLVNMNLVFFSLIAN-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.58
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

5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130913439
4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde
CID 131030928
4-ethyl-7-sulfanyl-1-benzothiophene-6-carbaldehyde
CID 131196622
4-ethyl-5-methyl-1-benzothiophene-6-carbaldehyde
CID 130816876
4-bromo-7-(bromomethyl)-1-benzothiophene-5-carbaldehyde
CID 130925488
6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde
CID 130898262
5-chloro-4,7-diethyl-1-benzothiophene
CID 131059958
7-amino-4-(hydroxymethyl)-1-benzothiophene-6-carbaldehyde
CID 130816485
7-ethyl-4-methoxy-1-benzothiophen-5-amine
CID 130788703
4-ethyl-6-methyl-1-benzothiophene-7-thiol
CID 131196353
4-ethyl-6-methyl-1-benzothiophen-7-ol
CID 131219308
7-ethyl-4-iodo-1-benzothiophene-5-carbonitrile
CID 130985730

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde?
The IUPAC name of 7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde (CID 131196397) is 7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde.
What is the SMILES notation for 7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde?
The canonical SMILES for 7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde is CCc1cc(C=O)c(C)c2ccsc12.
What is the InChIKey of 7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde?
The InChIKey is LVNMNLVFFSLIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-3-9-6-10(7-13)8(2)11-4-5-14-12(9)11/h4-7H,3H2,1-2H3.
What are the key properties of 7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde?
7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde has a molecular weight of 204.29 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde is sourced from PubChem (CID 131196397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).