1-(5-ethylthiophen-3-yl)butan-1-one

C10H14OS — CID 158760441

IUPAC1-(5-ethylthiophen-3-yl)butan-1-one
SMILESCCCC(=O)c1csc(CC)c1
InChIInChI=1S/C10H14OS/c1-3-5-10(11)8-6-9(4-2)12-7-8/h6-7H,3-5H2,1-2H3
InChIKeyWTNBKTSGDCTIBA-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.29
Rot. Bonds4

About 1-(5-ethylthiophen-3-yl)butan-1-one

1-(5-ethylthiophen-3-yl)butan-1-one (PubChem CID 158760441) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-(5-ethylthiophen-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(5-ethylthiophen-3-yl)butan-1-one
PubChem CID158760441
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name1-(5-ethylthiophen-3-yl)butan-1-one
SMILESCCCC(=O)c1csc(CC)c1
InChIInChI=1S/C10H14OS/c1-3-5-10(11)8-6-9(4-2)12-7-8/h6-7H,3-5H2,1-2H3
InChIKeyWTNBKTSGDCTIBA-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Acetylthiophene
CID 6920
2-Propionylthiophene
CID 26179
2-Acetyl-5-methylthiophene
CID 83655
3-Methyl-2-acetylthiophene
CID 83653
3-Acetyl-2,5-dimethylthiophene
CID 520191
2-Acetylbenzothiophene
CID 89805
2-Butanoylthiophene
CID 79248
2-Pentanoylthiophene
CID 574100
1-(5-Phenylthiophen-2-yl)ethan-1-one
CID 4962481
4,5,6,7-Tetrahydro-4-oxothionaphthene
CID 83418
2-Benzoylthiophene
CID 67262
3-Acetylbenzothiophene
CID 14316

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-3-yl)butan-1-one?
The IUPAC name of 1-(5-ethylthiophen-3-yl)butan-1-one (CID 158760441) is 1-(5-ethylthiophen-3-yl)butan-1-one.
What is the SMILES notation for 1-(5-ethylthiophen-3-yl)butan-1-one?
The canonical SMILES for 1-(5-ethylthiophen-3-yl)butan-1-one is CCCC(=O)c1csc(CC)c1.
What is the InChIKey of 1-(5-ethylthiophen-3-yl)butan-1-one?
The InChIKey is WTNBKTSGDCTIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-3-5-10(11)8-6-9(4-2)12-7-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-3-yl)butan-1-one?
1-(5-ethylthiophen-3-yl)butan-1-one has a molecular weight of 182.29 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-3-yl)butan-1-one is sourced from PubChem (CID 158760441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).