2-(thiolan-2-yl)-1,4-dioxane

C8H14O2S — CID 57189122

IUPAC2-(thiolan-2-yl)-1,4-dioxane
SMILESC1CSC(C2COCCO2)C1
InChIInChI=1S/C8H14O2S/c1-2-8(11-5-1)7-6-9-3-4-10-7/h7-8H,1-6H2
InChIKeyPXZVJQYKWRHVSK-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.30
Rot. Bonds1

About 2-(thiolan-2-yl)-1,4-dioxane

2-(thiolan-2-yl)-1,4-dioxane (PubChem CID 57189122) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-(thiolan-2-yl)-1,4-dioxane.

Molecular Properties

Compound Name2-(thiolan-2-yl)-1,4-dioxane
PubChem CID57189122
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name2-(thiolan-2-yl)-1,4-dioxane
SMILESC1CSC(C2COCCO2)C1
InChIInChI=1S/C8H14O2S/c1-2-8(11-5-1)7-6-9-3-4-10-7/h7-8H,1-6H2
InChIKeyPXZVJQYKWRHVSK-UHFFFAOYSA-N
XLogP1.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-2-yl)-1,4-dioxane?
The IUPAC name of 2-(thiolan-2-yl)-1,4-dioxane (CID 57189122) is 2-(thiolan-2-yl)-1,4-dioxane.
What is the SMILES notation for 2-(thiolan-2-yl)-1,4-dioxane?
The canonical SMILES for 2-(thiolan-2-yl)-1,4-dioxane is C1CSC(C2COCCO2)C1.
What is the InChIKey of 2-(thiolan-2-yl)-1,4-dioxane?
The InChIKey is PXZVJQYKWRHVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-2-8(11-5-1)7-6-9-3-4-10-7/h7-8H,1-6H2.
What are the key properties of 2-(thiolan-2-yl)-1,4-dioxane?
2-(thiolan-2-yl)-1,4-dioxane has a molecular weight of 174.26 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-2-yl)-1,4-dioxane is sourced from PubChem (CID 57189122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).