2-ethoxy-1,3-oxathiolane

C5H10O2S — CID 5136003

IUPAC2-ethoxy-1,3-oxathiolane
SMILESCCOC1OCCS1
InChIInChI=1S/C5H10O2S/c1-2-6-5-7-3-4-8-5/h5H,2-4H2,1H3
InChIKeyGICJVLUQVBTBHV-UHFFFAOYSA-N
MW134.20 g/mol
LogP1.07
Rot. Bonds2

About 2-ethoxy-1,3-oxathiolane

2-ethoxy-1,3-oxathiolane (PubChem CID 5136003) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-ethoxy-1,3-oxathiolane.

Molecular Properties

Compound Name2-ethoxy-1,3-oxathiolane
PubChem CID5136003
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name2-ethoxy-1,3-oxathiolane
SMILESCCOC1OCCS1
InChIInChI=1S/C5H10O2S/c1-2-6-5-7-3-4-8-5/h5H,2-4H2,1H3
InChIKeyGICJVLUQVBTBHV-UHFFFAOYSA-N
XLogP1.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-oxathiolane?
The IUPAC name of 2-ethoxy-1,3-oxathiolane (CID 5136003) is 2-ethoxy-1,3-oxathiolane.
What is the SMILES notation for 2-ethoxy-1,3-oxathiolane?
The canonical SMILES for 2-ethoxy-1,3-oxathiolane is CCOC1OCCS1.
What is the InChIKey of 2-ethoxy-1,3-oxathiolane?
The InChIKey is GICJVLUQVBTBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-2-6-5-7-3-4-8-5/h5H,2-4H2,1H3.
What are the key properties of 2-ethoxy-1,3-oxathiolane?
2-ethoxy-1,3-oxathiolane has a molecular weight of 134.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3-oxathiolane is sourced from PubChem (CID 5136003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).