methoxysulfanylperoxymethane

C2H6O3S — CID 22955890

IUPACmethoxysulfanylperoxymethane
SMILESCOOSOC
InChIInChI=1S/C2H6O3S/c1-3-5-6-4-2/h1-2H3
InChIKeyIELIFRAOBLBNSG-UHFFFAOYSA-N
MW110.13 g/mol
LogP0.77
Rot. Bonds3

About methoxysulfanylperoxymethane

methoxysulfanylperoxymethane (PubChem CID 22955890) has the molecular formula C2H6O3S and a molecular weight of 110.13 g/mol. Its IUPAC name is methoxysulfanylperoxymethane.

Molecular Properties

Compound Namemethoxysulfanylperoxymethane
PubChem CID22955890
Molecular FormulaC2H6O3S
Molecular Weight110.13 g/mol
Exact Mass110.00
IUPAC Namemethoxysulfanylperoxymethane
SMILESCOOSOC
InChIInChI=1S/C2H6O3S/c1-3-5-6-4-2/h1-2H3
InChIKeyIELIFRAOBLBNSG-UHFFFAOYSA-N
XLogP0.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.13
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxysulfanylperoxymethane?
The IUPAC name of methoxysulfanylperoxymethane (CID 22955890) is methoxysulfanylperoxymethane.
What is the SMILES notation for methoxysulfanylperoxymethane?
The canonical SMILES for methoxysulfanylperoxymethane is COOSOC.
What is the InChIKey of methoxysulfanylperoxymethane?
The InChIKey is IELIFRAOBLBNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S/c1-3-5-6-4-2/h1-2H3.
What are the key properties of methoxysulfanylperoxymethane?
methoxysulfanylperoxymethane has a molecular weight of 110.13 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxysulfanylperoxymethane is sourced from PubChem (CID 22955890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).