3-thiophen-3-yl-2H-furan-5-one

C8H6O2S — CID 24826039

IUPAC3-thiophen-3-yl-2H-furan-5-one
SMILESO=C1C=C(c2ccsc2)CO1
InChIInChI=1S/C8H6O2S/c9-8-3-7(4-10-8)6-1-2-11-5-6/h1-3,5H,4H2
InChIKeyFDBZJCGXVRDLSL-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.69
Rot. Bonds1

About 3-thiophen-3-yl-2H-furan-5-one

3-thiophen-3-yl-2H-furan-5-one (PubChem CID 24826039) has the molecular formula C8H6O2S and a molecular weight of 166.20 g/mol. Its IUPAC name is 3-thiophen-3-yl-2H-furan-5-one.

Molecular Properties

Compound Name3-thiophen-3-yl-2H-furan-5-one
PubChem CID24826039
Molecular FormulaC8H6O2S
Molecular Weight166.20 g/mol
Exact Mass166.01
IUPAC Name3-thiophen-3-yl-2H-furan-5-one
SMILESO=C1C=C(c2ccsc2)CO1
InChIInChI=1S/C8H6O2S/c9-8-3-7(4-10-8)6-1-2-11-5-6/h1-3,5H,4H2
InChIKeyFDBZJCGXVRDLSL-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-2H-furan-5-one?
The IUPAC name of 3-thiophen-3-yl-2H-furan-5-one (CID 24826039) is 3-thiophen-3-yl-2H-furan-5-one.
What is the SMILES notation for 3-thiophen-3-yl-2H-furan-5-one?
The canonical SMILES for 3-thiophen-3-yl-2H-furan-5-one is O=C1C=C(c2ccsc2)CO1.
What is the InChIKey of 3-thiophen-3-yl-2H-furan-5-one?
The InChIKey is FDBZJCGXVRDLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2S/c9-8-3-7(4-10-8)6-1-2-11-5-6/h1-3,5H,4H2.
What are the key properties of 3-thiophen-3-yl-2H-furan-5-one?
3-thiophen-3-yl-2H-furan-5-one has a molecular weight of 166.20 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-2H-furan-5-one is sourced from PubChem (CID 24826039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).