6-thiophen-2-ylpyran-2-one

C9H6O2S — CID 927500

IUPAC6-thiophen-2-ylpyran-2-one
SMILESO=c1cccc(-c2cccs2)o1
InChIInChI=1S/C9H6O2S/c10-9-5-1-3-7(11-9)8-4-2-6-12-8/h1-6H
InChIKeyVFYDKIUQLRFDGO-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.37
Rot. Bonds1

About 6-thiophen-2-ylpyran-2-one

6-thiophen-2-ylpyran-2-one (PubChem CID 927500) has the molecular formula C9H6O2S and a molecular weight of 178.21 g/mol. Its IUPAC name is 6-thiophen-2-ylpyran-2-one.

Molecular Properties

Compound Name6-thiophen-2-ylpyran-2-one
PubChem CID927500
Molecular FormulaC9H6O2S
Molecular Weight178.21 g/mol
Exact Mass178.01
IUPAC Name6-thiophen-2-ylpyran-2-one
SMILESO=c1cccc(-c2cccs2)o1
InChIInChI=1S/C9H6O2S/c10-9-5-1-3-7(11-9)8-4-2-6-12-8/h1-6H
InChIKeyVFYDKIUQLRFDGO-UHFFFAOYSA-N
XLogP2.37
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-ylpyran-2-one?
The IUPAC name of 6-thiophen-2-ylpyran-2-one (CID 927500) is 6-thiophen-2-ylpyran-2-one.
What is the SMILES notation for 6-thiophen-2-ylpyran-2-one?
The canonical SMILES for 6-thiophen-2-ylpyran-2-one is O=c1cccc(-c2cccs2)o1.
What is the InChIKey of 6-thiophen-2-ylpyran-2-one?
The InChIKey is VFYDKIUQLRFDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2S/c10-9-5-1-3-7(11-9)8-4-2-6-12-8/h1-6H.
What are the key properties of 6-thiophen-2-ylpyran-2-one?
6-thiophen-2-ylpyran-2-one has a molecular weight of 178.21 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-ylpyran-2-one is sourced from PubChem (CID 927500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).