1-(2-acetylthiophen-3-yl)ethanone

C8H8O2S — CID 69091147

IUPAC1-(2-acetylthiophen-3-yl)ethanone
SMILESCC(=O)c1ccsc1C(C)=O
InChIInChI=1S/C8H8O2S/c1-5(9)7-3-4-11-8(7)6(2)10/h3-4H,1-2H3
InChIKeyRINJOJVOROXXOL-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.15
Rot. Bonds2

About 1-(2-acetylthiophen-3-yl)ethanone

1-(2-acetylthiophen-3-yl)ethanone (PubChem CID 69091147) has the molecular formula C8H8O2S and a molecular weight of 168.22 g/mol. Its IUPAC name is 1-(2-acetylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-acetylthiophen-3-yl)ethanone
PubChem CID69091147
Molecular FormulaC8H8O2S
Molecular Weight168.22 g/mol
Exact Mass168.02
IUPAC Name1-(2-acetylthiophen-3-yl)ethanone
SMILESCC(=O)c1ccsc1C(C)=O
InChIInChI=1S/C8H8O2S/c1-5(9)7-3-4-11-8(7)6(2)10/h3-4H,1-2H3
InChIKeyRINJOJVOROXXOL-UHFFFAOYSA-N
XLogP2.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetylthiophene-2-carboxylic acid
CID 818927
methyl 2-acetylthiophene-3-carboxylate
CID 13447179
1-(2-aminothiophen-3-yl)ethanone
CID 19908024
2-acetylthiophene-3-carbaldehyde
CID 59760330
3-(2-acetylthiophen-3-yl)prop-2-enoic acid
CID 169460277
1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane
CID 91068809
3-acetyl-N'-methyl-N-prop-2-enylidenethiophene-2-carboximidamide;ethane
CID 145106319
2-(2-acetylthiophen-3-yl)benzoic acid
CID 71161885
thiophene-2,3-dicarboxylate
CID 7349646
1-(3-butylthiophen-2-yl)ethanone
CID 126660664
3-(methylcarbamoyl)thiophene-2-carboxylic acid
CID 129267233
2-(2-acetylthiophen-3-yl)iminoethanethial
CID 58223226

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylthiophen-3-yl)ethanone?
The IUPAC name of 1-(2-acetylthiophen-3-yl)ethanone (CID 69091147) is 1-(2-acetylthiophen-3-yl)ethanone.
What is the SMILES notation for 1-(2-acetylthiophen-3-yl)ethanone?
The canonical SMILES for 1-(2-acetylthiophen-3-yl)ethanone is CC(=O)c1ccsc1C(C)=O.
What is the InChIKey of 1-(2-acetylthiophen-3-yl)ethanone?
The InChIKey is RINJOJVOROXXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2S/c1-5(9)7-3-4-11-8(7)6(2)10/h3-4H,1-2H3.
What are the key properties of 1-(2-acetylthiophen-3-yl)ethanone?
1-(2-acetylthiophen-3-yl)ethanone has a molecular weight of 168.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylthiophen-3-yl)ethanone is sourced from PubChem (CID 69091147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).