1-ethylsulfonylethane;methoxymethane

C6H16O3S — CID 174793539

IUPAC1-ethylsulfonylethane;methoxymethane
SMILESCCS(=O)(=O)CC.COC
InChIInChI=1S/C4H10O2S.C2H6O/c1-3-7(5,6)4-2;1-3-2/h3-4H2,1-2H3;1-2H3
InChIKeyXWOLOAVCQHPUOM-UHFFFAOYSA-N
MW168.26 g/mol
LogP0.70
Rot. Bonds2

About 1-ethylsulfonylethane;methoxymethane

1-ethylsulfonylethane;methoxymethane (PubChem CID 174793539) has the molecular formula C6H16O3S and a molecular weight of 168.26 g/mol. Its IUPAC name is 1-ethylsulfonylethane;methoxymethane.

Molecular Properties

Compound Name1-ethylsulfonylethane;methoxymethane
PubChem CID174793539
Molecular FormulaC6H16O3S
Molecular Weight168.26 g/mol
Exact Mass168.08
IUPAC Name1-ethylsulfonylethane;methoxymethane
SMILESCCS(=O)(=O)CC.COC
InChIInChI=1S/C4H10O2S.C2H6O/c1-3-7(5,6)4-2;1-3-2/h3-4H2,1-2H3;1-2H3
InChIKeyXWOLOAVCQHPUOM-UHFFFAOYSA-N
XLogP0.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylethane;methoxymethane?
The IUPAC name of 1-ethylsulfonylethane;methoxymethane (CID 174793539) is 1-ethylsulfonylethane;methoxymethane.
What is the SMILES notation for 1-ethylsulfonylethane;methoxymethane?
The canonical SMILES for 1-ethylsulfonylethane;methoxymethane is CCS(=O)(=O)CC.COC.
What is the InChIKey of 1-ethylsulfonylethane;methoxymethane?
The InChIKey is XWOLOAVCQHPUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S.C2H6O/c1-3-7(5,6)4-2;1-3-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of 1-ethylsulfonylethane;methoxymethane?
1-ethylsulfonylethane;methoxymethane has a molecular weight of 168.26 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylethane;methoxymethane is sourced from PubChem (CID 174793539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).