1-(methoxymethylsulfonyl)ethane

C4H10O3S — CID 542148

IUPAC1-(methoxymethylsulfonyl)ethane
SMILESCCS(=O)(=O)COC
InChIInChI=1S/C4H10O3S/c1-3-8(5,6)4-7-2/h3-4H2,1-2H3
InChIKeyXLXSJWITWJOTST-UHFFFAOYSA-N
MW138.19 g/mol
LogP0.03
Rot. Bonds3

About 1-(methoxymethylsulfonyl)ethane

1-(methoxymethylsulfonyl)ethane (PubChem CID 542148) has the molecular formula C4H10O3S and a molecular weight of 138.19 g/mol. Its IUPAC name is 1-(methoxymethylsulfonyl)ethane.

Molecular Properties

Compound Name1-(methoxymethylsulfonyl)ethane
PubChem CID542148
Molecular FormulaC4H10O3S
Molecular Weight138.19 g/mol
Exact Mass138.04
IUPAC Name1-(methoxymethylsulfonyl)ethane
SMILESCCS(=O)(=O)COC
InChIInChI=1S/C4H10O3S/c1-3-8(5,6)4-7-2/h3-4H2,1-2H3
InChIKeyXLXSJWITWJOTST-UHFFFAOYSA-N
XLogP0.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethylsulfonyl)ethane?
The IUPAC name of 1-(methoxymethylsulfonyl)ethane (CID 542148) is 1-(methoxymethylsulfonyl)ethane.
What is the SMILES notation for 1-(methoxymethylsulfonyl)ethane?
The canonical SMILES for 1-(methoxymethylsulfonyl)ethane is CCS(=O)(=O)COC.
What is the InChIKey of 1-(methoxymethylsulfonyl)ethane?
The InChIKey is XLXSJWITWJOTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3S/c1-3-8(5,6)4-7-2/h3-4H2,1-2H3.
What are the key properties of 1-(methoxymethylsulfonyl)ethane?
1-(methoxymethylsulfonyl)ethane has a molecular weight of 138.19 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethylsulfonyl)ethane is sourced from PubChem (CID 542148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).