(2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one

C10H10O2S — CID 70682562

IUPAC(2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one
SMILESCC1=CC[C@@H](c2cccs2)OC1=O
InChIInChI=1S/C10H10O2S/c1-7-4-5-8(12-10(7)11)9-3-2-6-13-9/h2-4,6,8H,5H2,1H3/t8-/m0/s1
InChIKeyCFXOVVZNXHIJKI-QMMMGPOBSA-N
MW194.25 g/mol
LogP2.68
Rot. Bonds1

About (2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one

(2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one (PubChem CID 70682562) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is (2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one
PubChem CID70682562
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name(2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one
SMILESCC1=CC[C@@H](c2cccs2)OC1=O
InChIInChI=1S/C10H10O2S/c1-7-4-5-8(12-10(7)11)9-3-2-6-13-9/h2-4,6,8H,5H2,1H3/t8-/m0/s1
InChIKeyCFXOVVZNXHIJKI-QMMMGPOBSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one (CID 70682562) is (2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one is CC1=CC[C@@H](c2cccs2)OC1=O.
What is the InChIKey of (2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one?
The InChIKey is CFXOVVZNXHIJKI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10O2S/c1-7-4-5-8(12-10(7)11)9-3-2-6-13-9/h2-4,6,8H,5H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one?
(2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one has a molecular weight of 194.25 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 (2S)-5-methyl-2-thiophen-2-yl-2,3-dihydropyran-6-one is sourced from PubChem (CID 70682562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).