2,3-diethyl-5,6-dimethyl-2,3-dihydrothiopyran-4-one;ethane

C13H24OS — CID 143862671

IUPAC2,3-diethyl-5,6-dimethyl-2,3-dihydrothiopyran-4-one;ethane
SMILESCC.CCC1SC(C)=C(C)C(=O)C1CC
InChIInChI=1S/C11H18OS.C2H6/c1-5-9-10(6-2)13-8(4)7(3)11(9)12;1-2/h9-10H,5-6H2,1-4H3;1-2H3
InChIKeyQNBWVYQSEAOKPL-UHFFFAOYSA-N
MW228.40 g/mol
LogP4.43
Rot. Bonds2

About 2,3-diethyl-5,6-dimethyl-2,3-dihydrothiopyran-4-one;ethane

2,3-diethyl-5,6-dimethyl-2,3-dihydrothiopyran-4-one;ethane (PubChem CID 143862671) has the molecular formula C13H24OS and a molecular weight of 228.40 g/mol. Its IUPAC name is 2,3-diethyl-5,6-dimethyl-2,3-dihydrothiopyran-4-one;ethane.

Molecular Properties

Compound Name2,3-diethyl-5,6-dimethyl-2,3-dihydrothiopyran-4-one;ethane
PubChem CID143862671
Molecular FormulaC13H24OS
Molecular Weight228.40 g/mol
Exact Mass228.15
IUPAC Name2,3-diethyl-5,6-dimethyl-2,3-dihydrothiopyran-4-one;ethane
SMILESCC.CCC1SC(C)=C(C)C(=O)C1CC
InChIInChI=1S/C11H18OS.C2H6/c1-5-9-10(6-2)13-8(4)7(3)11(9)12;1-2/h9-10H,5-6H2,1-4H3;1-2H3
InChIKeyQNBWVYQSEAOKPL-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-5,6-dimethyl-2,3-dihydrothiopyran-4-one;ethane?
The IUPAC name of 2,3-diethyl-5,6-dimethyl-2,3-dihydrothiopyran-4-one;ethane (CID 143862671) is 2,3-diethyl-5,6-dimethyl-2,3-dihydrothiopyran-4-one;ethane.
What is the SMILES notation for 2,3-diethyl-5,6-dimethyl-2,3-dihydrothiopyran-4-one;ethane?
The canonical SMILES for 2,3-diethyl-5,6-dimethyl-2,3-dihydrothiopyran-4-one;ethane is CC.CCC1SC(C)=C(C)C(=O)C1CC.
What is the InChIKey of 2,3-diethyl-5,6-dimethyl-2,3-dihydrothiopyran-4-one;ethane?
The InChIKey is QNBWVYQSEAOKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS.C2H6/c1-5-9-10(6-2)13-8(4)7(3)11(9)12;1-2/h9-10H,5-6H2,1-4H3;1-2H3.
What are the key properties of 2,3-diethyl-5,6-dimethyl-2,3-dihydrothiopyran-4-one;ethane?
2,3-diethyl-5,6-dimethyl-2,3-dihydrothiopyran-4-one;ethane has a molecular weight of 228.40 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-5,6-dimethyl-2,3-dihydrothiopyran-4-one;ethane is sourced from PubChem (CID 143862671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).