1-(5-ethyl-1-benzothiophen-2-yl)ethanone

C12H12OS — CID 143033233

IUPAC1-(5-ethyl-1-benzothiophen-2-yl)ethanone
SMILESCCc1ccc2sc(C(C)=O)cc2c1
InChIInChI=1S/C12H12OS/c1-3-9-4-5-11-10(6-9)7-12(14-11)8(2)13/h4-7H,3H2,1-2H3
InChIKeyAEGMYPGNQYXROM-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.67
Rot. Bonds2

About 1-(5-ethyl-1-benzothiophen-2-yl)ethanone

1-(5-ethyl-1-benzothiophen-2-yl)ethanone (PubChem CID 143033233) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-(5-ethyl-1-benzothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-1-benzothiophen-2-yl)ethanone
PubChem CID143033233
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name1-(5-ethyl-1-benzothiophen-2-yl)ethanone
SMILESCCc1ccc2sc(C(C)=O)cc2c1
InChIInChI=1S/C12H12OS/c1-3-9-4-5-11-10(6-9)7-12(14-11)8(2)13/h4-7H,3H2,1-2H3
InChIKeyAEGMYPGNQYXROM-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-1-benzothiophen-2-yl)ethanone
CID 617837
5-ethyl-1-benzothiophene-2-carboximidamide
CID 19007705
5-ethyl-1-benzothiophene-2-carboximidamide;hydrochloride
CID 19007704
5-(bromomethyl)-1-benzothiophene-2-carboxylic acid
CID 19994692
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(5-ethyl-1-benzothiophen-2-yl)methanone
CID 70866559
1-[5-(1-aminoethenyl)-1-benzothiophen-2-yl]ethanone;molecular hydrogen
CID 143033352
1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884
ethyl 5-fluoro-1-benzothiophene-2-carboxylate
CID 23261724
1-(6-amino-1-benzothiophen-2-yl)ethanone
CID 82373112
1-[6-[1-(1-benzothiophen-2-yl)ethyl]-1-benzothiophen-2-yl]ethanone
CID 10497120
(E)-1-(1-benzothiophen-2-yl)-2-methylbut-2-en-1-one
CID 142740243
1-(1-benzothiophen-2-yl)propan-1-one;methanamine
CID 171632714

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1-benzothiophen-2-yl)ethanone?
The IUPAC name of 1-(5-ethyl-1-benzothiophen-2-yl)ethanone (CID 143033233) is 1-(5-ethyl-1-benzothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(5-ethyl-1-benzothiophen-2-yl)ethanone?
The canonical SMILES for 1-(5-ethyl-1-benzothiophen-2-yl)ethanone is CCc1ccc2sc(C(C)=O)cc2c1.
What is the InChIKey of 1-(5-ethyl-1-benzothiophen-2-yl)ethanone?
The InChIKey is AEGMYPGNQYXROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-3-9-4-5-11-10(6-9)7-12(14-11)8(2)13/h4-7H,3H2,1-2H3.
What are the key properties of 1-(5-ethyl-1-benzothiophen-2-yl)ethanone?
1-(5-ethyl-1-benzothiophen-2-yl)ethanone has a molecular weight of 204.29 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1-benzothiophen-2-yl)ethanone is sourced from PubChem (CID 143033233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).