2-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-dioxane

C11H20O3S — CID 66473359

IUPAC2-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-dioxane
SMILESC1COC(CCSC2CCOCC2)OC1
InChIInChI=1S/C11H20O3S/c1-5-13-11(14-6-1)4-9-15-10-2-7-12-8-3-10/h10-11H,1-9H2
InChIKeyNJFXXKGTIXWNDA-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.05
Rot. Bonds4

About 2-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-dioxane

2-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-dioxane (PubChem CID 66473359) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-dioxane
PubChem CID66473359
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name2-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-dioxane
SMILESC1COC(CCSC2CCOCC2)OC1
InChIInChI=1S/C11H20O3S/c1-5-13-11(14-6-1)4-9-15-10-2-7-12-8-3-10/h10-11H,1-9H2
InChIKeyNJFXXKGTIXWNDA-UHFFFAOYSA-N
XLogP2.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(oxetan-3-ylsulfanyl)ethyl]-1,3-dioxane
CID 79327416
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
4-(oxan-4-ylsulfanyl)butanenitrile
CID 62995537
N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 62991941
1-(4-fluorophenyl)-3-(oxan-4-ylsulfanyl)propan-1-one
CID 62997340
1-(methylamino)-2-[2-(oxan-4-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile
CID 79576589
2-(2-pentylsulfanylethyl)-1,3-dioxane
CID 103912380
2-(1,3-dioxan-2-yl)ethanethiol
CID 6326934
N-[2-(oxan-4-ylsulfanyl)ethyl]aniline
CID 62990711
N'-hydroxy-4-[2-(oxan-4-ylsulfanyl)ethoxy]benzenecarboximidamide
CID 76980177
2-[2-(oxan-4-ylsulfanyl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576846
N-ethyl-4-(oxan-4-ylsulfanyl)butan-1-amine
CID 62991609

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-dioxane (CID 66473359) is 2-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-dioxane is C1COC(CCSC2CCOCC2)OC1.
What is the InChIKey of 2-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-dioxane?
The InChIKey is NJFXXKGTIXWNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-5-13-11(14-6-1)4-9-15-10-2-7-12-8-3-10/h10-11H,1-9H2.
What are the key properties of 2-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-dioxane?
2-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-dioxane has a molecular weight of 232.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-ylsulfanyl)ethyl]-1,3-dioxane is sourced from PubChem (CID 66473359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).