2-(1,4-oxathian-2-yloxy)-1,4-oxathiane

C8H14O3S2 — CID 57085771

IUPAC2-(1,4-oxathian-2-yloxy)-1,4-oxathiane
SMILESC1CSCC(OC2CSCCO2)O1
InChIInChI=1S/C8H14O3S2/c1-3-12-5-7(9-1)11-8-6-13-4-2-10-8/h7-8H,1-6H2
InChIKeyUWVHZZGTBARWPF-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.18
Rot. Bonds2

About 2-(1,4-oxathian-2-yloxy)-1,4-oxathiane

2-(1,4-oxathian-2-yloxy)-1,4-oxathiane (PubChem CID 57085771) has the molecular formula C8H14O3S2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(1,4-oxathian-2-yloxy)-1,4-oxathiane.

Molecular Properties

Compound Name2-(1,4-oxathian-2-yloxy)-1,4-oxathiane
PubChem CID57085771
Molecular FormulaC8H14O3S2
Molecular Weight222.33 g/mol
Exact Mass222.04
IUPAC Name2-(1,4-oxathian-2-yloxy)-1,4-oxathiane
SMILESC1CSCC(OC2CSCCO2)O1
InChIInChI=1S/C8H14O3S2/c1-3-12-5-7(9-1)11-8-6-13-4-2-10-8/h7-8H,1-6H2
InChIKeyUWVHZZGTBARWPF-UHFFFAOYSA-N
XLogP1.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-oxathian-2-yloxy)-1,4-oxathiane?
The IUPAC name of 2-(1,4-oxathian-2-yloxy)-1,4-oxathiane (CID 57085771) is 2-(1,4-oxathian-2-yloxy)-1,4-oxathiane.
What is the SMILES notation for 2-(1,4-oxathian-2-yloxy)-1,4-oxathiane?
The canonical SMILES for 2-(1,4-oxathian-2-yloxy)-1,4-oxathiane is C1CSCC(OC2CSCCO2)O1.
What is the InChIKey of 2-(1,4-oxathian-2-yloxy)-1,4-oxathiane?
The InChIKey is UWVHZZGTBARWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S2/c1-3-12-5-7(9-1)11-8-6-13-4-2-10-8/h7-8H,1-6H2.
What are the key properties of 2-(1,4-oxathian-2-yloxy)-1,4-oxathiane?
2-(1,4-oxathian-2-yloxy)-1,4-oxathiane has a molecular weight of 222.33 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-oxathian-2-yloxy)-1,4-oxathiane is sourced from PubChem (CID 57085771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).