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

C8H12OS — CID 142046068

IUPAC1-(2-ethyl-2,3-dihydrothiophen-3-yl)ethanone
SMILESCCC1SC=CC1C(C)=O
InChIInChI=1S/C8H12OS/c1-3-8-7(6(2)9)4-5-10-8/h4-5,7-8H,3H2,1-2H3
InChIKeyLGULKDWZIPMTGW-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.23
Rot. Bonds2

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

1-(2-ethyl-2,3-dihydrothiophen-3-yl)ethanone (PubChem CID 142046068) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-(2-ethyl-2,3-dihydrothiophen-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethyl-2,3-dihydrothiophen-3-yl)ethanone
PubChem CID142046068
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name1-(2-ethyl-2,3-dihydrothiophen-3-yl)ethanone
SMILESCCC1SC=CC1C(C)=O
InChIInChI=1S/C8H12OS/c1-3-8-7(6(2)9)4-5-10-8/h4-5,7-8H,3H2,1-2H3
InChIKeyLGULKDWZIPMTGW-UHFFFAOYSA-N
XLogP2.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2,3-dihydrothiophen-3-yl)ethanone?
The IUPAC name of 1-(2-ethyl-2,3-dihydrothiophen-3-yl)ethanone (CID 142046068) is 1-(2-ethyl-2,3-dihydrothiophen-3-yl)ethanone.
What is the SMILES notation for 1-(2-ethyl-2,3-dihydrothiophen-3-yl)ethanone?
The canonical SMILES for 1-(2-ethyl-2,3-dihydrothiophen-3-yl)ethanone is CCC1SC=CC1C(C)=O.
What is the InChIKey of 1-(2-ethyl-2,3-dihydrothiophen-3-yl)ethanone?
The InChIKey is LGULKDWZIPMTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-3-8-7(6(2)9)4-5-10-8/h4-5,7-8H,3H2,1-2H3.
What are the key properties of 1-(2-ethyl-2,3-dihydrothiophen-3-yl)ethanone?
1-(2-ethyl-2,3-dihydrothiophen-3-yl)ethanone has a molecular weight of 156.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2,3-dihydrothiophen-3-yl)ethanone is sourced from PubChem (CID 142046068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).