2-[2-(thiiran-2-yl)ethoxy]oxane

C9H16O2S — CID 12015179

IUPAC2-[2-(thiiran-2-yl)ethoxy]oxane
SMILESC1CCC(OCCC2CS2)OC1
InChIInChI=1S/C9H16O2S/c1-2-5-10-9(3-1)11-6-4-8-7-12-8/h8-9H,1-7H2
InChIKeyKVQHKQFVILXGBX-UHFFFAOYSA-N
MW188.29 g/mol
LogP2.04
Rot. Bonds4

About 2-[2-(thiiran-2-yl)ethoxy]oxane

2-[2-(thiiran-2-yl)ethoxy]oxane (PubChem CID 12015179) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-[2-(thiiran-2-yl)ethoxy]oxane.

Molecular Properties

Compound Name2-[2-(thiiran-2-yl)ethoxy]oxane
PubChem CID12015179
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name2-[2-(thiiran-2-yl)ethoxy]oxane
SMILESC1CCC(OCCC2CS2)OC1
InChIInChI=1S/C9H16O2S/c1-2-5-10-9(3-1)11-6-4-8-7-12-8/h8-9H,1-7H2
InChIKeyKVQHKQFVILXGBX-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiiran-2-yl)ethoxy]oxane?
The IUPAC name of 2-[2-(thiiran-2-yl)ethoxy]oxane (CID 12015179) is 2-[2-(thiiran-2-yl)ethoxy]oxane.
What is the SMILES notation for 2-[2-(thiiran-2-yl)ethoxy]oxane?
The canonical SMILES for 2-[2-(thiiran-2-yl)ethoxy]oxane is C1CCC(OCCC2CS2)OC1.
What is the InChIKey of 2-[2-(thiiran-2-yl)ethoxy]oxane?
The InChIKey is KVQHKQFVILXGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c1-2-5-10-9(3-1)11-6-4-8-7-12-8/h8-9H,1-7H2.
What are the key properties of 2-[2-(thiiran-2-yl)ethoxy]oxane?
2-[2-(thiiran-2-yl)ethoxy]oxane has a molecular weight of 188.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiiran-2-yl)ethoxy]oxane is sourced from PubChem (CID 12015179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).