1-(2,3-dihydrothiophen-5-yl)ethanone

C6H8OS — CID 70333295

IUPAC1-(2,3-dihydrothiophen-5-yl)ethanone
SMILESCC(=O)C1=CCCS1
InChIInChI=1S/C6H8OS/c1-5(7)6-3-2-4-8-6/h3H,2,4H2,1H3
InChIKeyVREYKFDOHLRWLN-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.60
Rot. Bonds1

About 1-(2,3-dihydrothiophen-5-yl)ethanone

1-(2,3-dihydrothiophen-5-yl)ethanone (PubChem CID 70333295) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 1-(2,3-dihydrothiophen-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydrothiophen-5-yl)ethanone
PubChem CID70333295
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name1-(2,3-dihydrothiophen-5-yl)ethanone
SMILESCC(=O)C1=CCCS1
InChIInChI=1S/C6H8OS/c1-5(7)6-3-2-4-8-6/h3H,2,4H2,1H3
InChIKeyVREYKFDOHLRWLN-UHFFFAOYSA-N
XLogP1.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrothiophen-5-yl)ethanone?
The IUPAC name of 1-(2,3-dihydrothiophen-5-yl)ethanone (CID 70333295) is 1-(2,3-dihydrothiophen-5-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydrothiophen-5-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydrothiophen-5-yl)ethanone is CC(=O)C1=CCCS1.
What is the InChIKey of 1-(2,3-dihydrothiophen-5-yl)ethanone?
The InChIKey is VREYKFDOHLRWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-5(7)6-3-2-4-8-6/h3H,2,4H2,1H3.
What are the key properties of 1-(2,3-dihydrothiophen-5-yl)ethanone?
1-(2,3-dihydrothiophen-5-yl)ethanone has a molecular weight of 128.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrothiophen-5-yl)ethanone is sourced from PubChem (CID 70333295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).