3-ethoxythiolane 1,1-dioxide

C6H12O3S — CID 3813693

IUPAC3-ethoxythiolane 1,1-dioxide
SMILESCCOC1CCS(=O)(=O)C1
InChIInChI=1S/C6H12O3S/c1-2-9-6-3-4-10(7,8)5-6/h6H,2-5H2,1H3
InChIKeyRZHPOELDGBAIIT-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.21
Rot. Bonds2

About 3-ethoxythiolane 1,1-dioxide

3-ethoxythiolane 1,1-dioxide (PubChem CID 3813693) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 3-ethoxythiolane 1,1-dioxide.

Molecular Properties

Compound Name3-ethoxythiolane 1,1-dioxide
PubChem CID3813693
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name3-ethoxythiolane 1,1-dioxide
SMILESCCOC1CCS(=O)(=O)C1
InChIInChI=1S/C6H12O3S/c1-2-9-6-3-4-10(7,8)5-6/h6H,2-5H2,1H3
InChIKeyRZHPOELDGBAIIT-UHFFFAOYSA-N
XLogP0.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxythiolane 1,1-dioxide?
The IUPAC name of 3-ethoxythiolane 1,1-dioxide (CID 3813693) is 3-ethoxythiolane 1,1-dioxide.
What is the SMILES notation for 3-ethoxythiolane 1,1-dioxide?
The canonical SMILES for 3-ethoxythiolane 1,1-dioxide is CCOC1CCS(=O)(=O)C1.
What is the InChIKey of 3-ethoxythiolane 1,1-dioxide?
The InChIKey is RZHPOELDGBAIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-2-9-6-3-4-10(7,8)5-6/h6H,2-5H2,1H3.
What are the key properties of 3-ethoxythiolane 1,1-dioxide?
3-ethoxythiolane 1,1-dioxide has a molecular weight of 164.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxythiolane 1,1-dioxide is sourced from PubChem (CID 3813693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).