2-ethylsulfinyl-2H-furan-5-one

C6H8O3S — CID 10419467

IUPAC2-ethylsulfinyl-2H-furan-5-one
SMILESCCS(=O)C1C=CC(=O)O1
InChIInChI=1S/C6H8O3S/c1-2-10(8)6-4-3-5(7)9-6/h3-4,6H,2H2,1H3
InChIKeyQGJKBNZOBYMLQK-UHFFFAOYSA-N
MW160.19 g/mol
LogP0.19
Rot. Bonds2

About 2-ethylsulfinyl-2H-furan-5-one

2-ethylsulfinyl-2H-furan-5-one (PubChem CID 10419467) has the molecular formula C6H8O3S and a molecular weight of 160.19 g/mol. Its IUPAC name is 2-ethylsulfinyl-2H-furan-5-one.

Molecular Properties

Compound Name2-ethylsulfinyl-2H-furan-5-one
PubChem CID10419467
Molecular FormulaC6H8O3S
Molecular Weight160.19 g/mol
Exact Mass160.02
IUPAC Name2-ethylsulfinyl-2H-furan-5-one
SMILESCCS(=O)C1C=CC(=O)O1
InChIInChI=1S/C6H8O3S/c1-2-10(8)6-4-3-5(7)9-6/h3-4,6H,2H2,1H3
InChIKeyQGJKBNZOBYMLQK-UHFFFAOYSA-N
XLogP0.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-2H-furan-5-one?
The IUPAC name of 2-ethylsulfinyl-2H-furan-5-one (CID 10419467) is 2-ethylsulfinyl-2H-furan-5-one.
What is the SMILES notation for 2-ethylsulfinyl-2H-furan-5-one?
The canonical SMILES for 2-ethylsulfinyl-2H-furan-5-one is CCS(=O)C1C=CC(=O)O1.
What is the InChIKey of 2-ethylsulfinyl-2H-furan-5-one?
The InChIKey is QGJKBNZOBYMLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3S/c1-2-10(8)6-4-3-5(7)9-6/h3-4,6H,2H2,1H3.
What are the key properties of 2-ethylsulfinyl-2H-furan-5-one?
2-ethylsulfinyl-2H-furan-5-one has a molecular weight of 160.19 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-2H-furan-5-one is sourced from PubChem (CID 10419467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).