2-(1,3-dithian-2-yl)-1,3-dioxane

C8H14O2S2 — CID 175598363

IUPAC2-(1,3-dithian-2-yl)-1,3-dioxane
SMILESC1COC(C2SCCCS2)OC1
InChIInChI=1S/C8H14O2S2/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h7-8H,1-6H2
InChIKeyUKZLJFLXRWUFHK-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.95
Rot. Bonds1

About 2-(1,3-dithian-2-yl)-1,3-dioxane

2-(1,3-dithian-2-yl)-1,3-dioxane (PubChem CID 175598363) has the molecular formula C8H14O2S2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(1,3-dithian-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name2-(1,3-dithian-2-yl)-1,3-dioxane
PubChem CID175598363
Molecular FormulaC8H14O2S2
Molecular Weight206.33 g/mol
Exact Mass206.04
IUPAC Name2-(1,3-dithian-2-yl)-1,3-dioxane
SMILESC1COC(C2SCCCS2)OC1
InChIInChI=1S/C8H14O2S2/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h7-8H,1-6H2
InChIKeyUKZLJFLXRWUFHK-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-Ethoxyethoxy)propyl][1,3]dithiane
CID 600786
2-(2,2-Diethoxyethyl)-1,3-dithiane
CID 13192745
CID 13952911
CID 13952911
2-[4-(1,3-Dithian-2-yl)butyl]-1,3-dioxane
CID 14247642
7,11-Dioxa-1,5-dithiaspiro[5.5]undecane
CID 15400531
1,7-Dioxa-4,10-dithiaspiro[5.5]undecane, 5-methyl-
CID 548223
1,7-Dioxa-4,10-dithiaspiro[5.5]undecane
CID 576678
1,3-Dioxane, 2-[2-(1,3-dithian-2-yl)ethyl]-
CID 11806600
1,5-Dioxa-9-thiaspiro[5.5]undecane
CID 12335979
2-(1,3-Dithiolan-2-yl)-1,3-dioxane
CID 22114957
2-(1,3-Dithian-5-yl)-1,3-dioxane
CID 54130831
2-(1,4-Oxathian-2-yloxy)-1,4-oxathiane
CID 57085771

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithian-2-yl)-1,3-dioxane?
The IUPAC name of 2-(1,3-dithian-2-yl)-1,3-dioxane (CID 175598363) is 2-(1,3-dithian-2-yl)-1,3-dioxane.
What is the SMILES notation for 2-(1,3-dithian-2-yl)-1,3-dioxane?
The canonical SMILES for 2-(1,3-dithian-2-yl)-1,3-dioxane is C1COC(C2SCCCS2)OC1.
What is the InChIKey of 2-(1,3-dithian-2-yl)-1,3-dioxane?
The InChIKey is UKZLJFLXRWUFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S2/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h7-8H,1-6H2.
What are the key properties of 2-(1,3-dithian-2-yl)-1,3-dioxane?
2-(1,3-dithian-2-yl)-1,3-dioxane has a molecular weight of 206.33 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithian-2-yl)-1,3-dioxane is sourced from PubChem (CID 175598363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).