2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane

C10H18O2S2 — CID 11806600

IUPAC2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane
SMILESC1COC(CCC2SCCCS2)OC1
InChIInChI=1S/C10H18O2S2/c1-5-11-9(12-6-1)3-4-10-13-7-2-8-14-10/h9-10H,1-8H2
InChIKeyIORRIRMDNFTBBU-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.73
Rot. Bonds3

About 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane

2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane (PubChem CID 11806600) has the molecular formula C10H18O2S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane
PubChem CID11806600
Molecular FormulaC10H18O2S2
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Name2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane
SMILESC1COC(CCC2SCCCS2)OC1
InChIInChI=1S/C10H18O2S2/c1-5-11-9(12-6-1)3-4-10-13-7-2-8-14-10/h9-10H,1-8H2
InChIKeyIORRIRMDNFTBBU-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane (CID 11806600) is 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane is C1COC(CCC2SCCCS2)OC1.
What is the InChIKey of 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane?
The InChIKey is IORRIRMDNFTBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S2/c1-5-11-9(12-6-1)3-4-10-13-7-2-8-14-10/h9-10H,1-8H2.
What are the key properties of 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane?
2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane has a molecular weight of 234.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane is sourced from PubChem (CID 11806600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).