3,4-diethoxythiolane 1,1-dioxide

C8H16O4S — CID 2831188

IUPAC3,4-diethoxythiolane 1,1-dioxide
SMILESCCOC1CS(=O)(=O)CC1OCC
InChIInChI=1S/C8H16O4S/c1-3-11-7-5-13(9,10)6-8(7)12-4-2/h7-8H,3-6H2,1-2H3
InChIKeyMYQFMJOIXMWAAO-UHFFFAOYSA-N
MW208.28 g/mol
LogP0.22
Rot. Bonds4

About 3,4-diethoxythiolane 1,1-dioxide

3,4-diethoxythiolane 1,1-dioxide (PubChem CID 2831188) has the molecular formula C8H16O4S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3,4-diethoxythiolane 1,1-dioxide.

Molecular Properties

Compound Name3,4-diethoxythiolane 1,1-dioxide
PubChem CID2831188
Molecular FormulaC8H16O4S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name3,4-diethoxythiolane 1,1-dioxide
SMILESCCOC1CS(=O)(=O)CC1OCC
InChIInChI=1S/C8H16O4S/c1-3-11-7-5-13(9,10)6-8(7)12-4-2/h7-8H,3-6H2,1-2H3
InChIKeyMYQFMJOIXMWAAO-UHFFFAOYSA-N
XLogP0.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxythiolane 1,1-dioxide?
The IUPAC name of 3,4-diethoxythiolane 1,1-dioxide (CID 2831188) is 3,4-diethoxythiolane 1,1-dioxide.
What is the SMILES notation for 3,4-diethoxythiolane 1,1-dioxide?
The canonical SMILES for 3,4-diethoxythiolane 1,1-dioxide is CCOC1CS(=O)(=O)CC1OCC.
What is the InChIKey of 3,4-diethoxythiolane 1,1-dioxide?
The InChIKey is MYQFMJOIXMWAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4S/c1-3-11-7-5-13(9,10)6-8(7)12-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 3,4-diethoxythiolane 1,1-dioxide?
3,4-diethoxythiolane 1,1-dioxide has a molecular weight of 208.28 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxythiolane 1,1-dioxide is sourced from PubChem (CID 2831188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).