3-(2-methylthiophen-3-yl)pyran-2-one

C10H8O2S — CID 167744871

IUPAC3-(2-methylthiophen-3-yl)pyran-2-one
SMILESCc1sccc1-c1cccoc1=O
InChIInChI=1S/C10H8O2S/c1-7-8(4-6-13-7)9-3-2-5-12-10(9)11/h2-6H,1H3
InChIKeyCEKJODJXHUVTHZ-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.68
Rot. Bonds1

About 3-(2-methylthiophen-3-yl)pyran-2-one

3-(2-methylthiophen-3-yl)pyran-2-one (PubChem CID 167744871) has the molecular formula C10H8O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-(2-methylthiophen-3-yl)pyran-2-one.

Molecular Properties

Compound Name3-(2-methylthiophen-3-yl)pyran-2-one
PubChem CID167744871
Molecular FormulaC10H8O2S
Molecular Weight192.24 g/mol
Exact Mass192.02
IUPAC Name3-(2-methylthiophen-3-yl)pyran-2-one
SMILESCc1sccc1-c1cccoc1=O
InChIInChI=1S/C10H8O2S/c1-7-8(4-6-13-7)9-3-2-5-12-10(9)11/h2-6H,1H3
InChIKeyCEKJODJXHUVTHZ-UHFFFAOYSA-N
XLogP2.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylthiophen-3-yl)pyran-2-one?
The IUPAC name of 3-(2-methylthiophen-3-yl)pyran-2-one (CID 167744871) is 3-(2-methylthiophen-3-yl)pyran-2-one.
What is the SMILES notation for 3-(2-methylthiophen-3-yl)pyran-2-one?
The canonical SMILES for 3-(2-methylthiophen-3-yl)pyran-2-one is Cc1sccc1-c1cccoc1=O.
What is the InChIKey of 3-(2-methylthiophen-3-yl)pyran-2-one?
The InChIKey is CEKJODJXHUVTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S/c1-7-8(4-6-13-7)9-3-2-5-12-10(9)11/h2-6H,1H3.
What are the key properties of 3-(2-methylthiophen-3-yl)pyran-2-one?
3-(2-methylthiophen-3-yl)pyran-2-one has a molecular weight of 192.24 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylthiophen-3-yl)pyran-2-one is sourced from PubChem (CID 167744871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).