(2S)-2-thiophen-2-yl-2,3-dihydropyran-6-one

C9H8O2S — CID 70688874

IUPAC(2S)-2-thiophen-2-yl-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@@H](c2cccs2)O1
InChIInChI=1S/C9H8O2S/c10-9-5-1-3-7(11-9)8-4-2-6-12-8/h1-2,4-7H,3H2/t7-/m0/s1
InChIKeyWFMICXUABIJNJK-ZETCQYMHSA-N
MW180.23 g/mol
LogP2.29
Rot. Bonds1

About (2S)-2-thiophen-2-yl-2,3-dihydropyran-6-one

(2S)-2-thiophen-2-yl-2,3-dihydropyran-6-one (PubChem CID 70688874) has the molecular formula C9H8O2S and a molecular weight of 180.23 g/mol. Its IUPAC name is (2S)-2-thiophen-2-yl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2-thiophen-2-yl-2,3-dihydropyran-6-one
PubChem CID70688874
Molecular FormulaC9H8O2S
Molecular Weight180.23 g/mol
Exact Mass180.02
IUPAC Name(2S)-2-thiophen-2-yl-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@@H](c2cccs2)O1
InChIInChI=1S/C9H8O2S/c10-9-5-1-3-7(11-9)8-4-2-6-12-8/h1-2,4-7H,3H2/t7-/m0/s1
InChIKeyWFMICXUABIJNJK-ZETCQYMHSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-thiophen-2-yl-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-2-thiophen-2-yl-2,3-dihydropyran-6-one (CID 70688874) is (2S)-2-thiophen-2-yl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-2-thiophen-2-yl-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-2-thiophen-2-yl-2,3-dihydropyran-6-one is O=C1C=CC[C@@H](c2cccs2)O1.
What is the InChIKey of (2S)-2-thiophen-2-yl-2,3-dihydropyran-6-one?
The InChIKey is WFMICXUABIJNJK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H8O2S/c10-9-5-1-3-7(11-9)8-4-2-6-12-8/h1-2,4-7H,3H2/t7-/m0/s1.
What are the key properties of (2S)-2-thiophen-2-yl-2,3-dihydropyran-6-one?
(2S)-2-thiophen-2-yl-2,3-dihydropyran-6-one has a molecular weight of 180.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-thiophen-2-yl-2,3-dihydropyran-6-one is sourced from PubChem (CID 70688874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).