2-(2-methylsulfanylethyl)-1,3-dioxane

C7H14O2S — CID 54224659

IUPAC2-(2-methylsulfanylethyl)-1,3-dioxane
SMILESCSCCC1OCCCO1
InChIInChI=1S/C7H14O2S/c1-10-6-3-7-8-4-2-5-9-7/h7H,2-6H2,1H3
InChIKeyQFACVYRDWNSHFI-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.50
Rot. Bonds3

About 2-(2-methylsulfanylethyl)-1,3-dioxane

2-(2-methylsulfanylethyl)-1,3-dioxane (PubChem CID 54224659) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 2-(2-methylsulfanylethyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(2-methylsulfanylethyl)-1,3-dioxane
PubChem CID54224659
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name2-(2-methylsulfanylethyl)-1,3-dioxane
SMILESCSCCC1OCCCO1
InChIInChI=1S/C7H14O2S/c1-10-6-3-7-8-4-2-5-9-7/h7H,2-6H2,1H3
InChIKeyQFACVYRDWNSHFI-UHFFFAOYSA-N
XLogP1.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylsulfanylethyl)-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-methylsulfanylethyl)-1,3-dioxane?
The IUPAC name of 2-(2-methylsulfanylethyl)-1,3-dioxane (CID 54224659) is 2-(2-methylsulfanylethyl)-1,3-dioxane.
What is the SMILES notation for 2-(2-methylsulfanylethyl)-1,3-dioxane?
The canonical SMILES for 2-(2-methylsulfanylethyl)-1,3-dioxane is CSCCC1OCCCO1.
What is the InChIKey of 2-(2-methylsulfanylethyl)-1,3-dioxane?
The InChIKey is QFACVYRDWNSHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-10-6-3-7-8-4-2-5-9-7/h7H,2-6H2,1H3.
What are the key properties of 2-(2-methylsulfanylethyl)-1,3-dioxane?
2-(2-methylsulfanylethyl)-1,3-dioxane has a molecular weight of 162.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylethyl)-1,3-dioxane is sourced from PubChem (CID 54224659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).