sulfanyloxyperoxyethane

C2H6O3S — CID 22886190

IUPACsulfanyloxyperoxyethane
SMILESCCOOOS
InChIInChI=1S/C2H6O3S/c1-2-3-4-5-6/h6H,2H2,1H3
InChIKeyAIPBTZLNOBBMKQ-UHFFFAOYSA-N
MW110.13 g/mol
LogP0.73
Rot. Bonds3

About sulfanyloxyperoxyethane

sulfanyloxyperoxyethane (PubChem CID 22886190) has the molecular formula C2H6O3S and a molecular weight of 110.13 g/mol. Its IUPAC name is sulfanyloxyperoxyethane.

Molecular Properties

Compound Namesulfanyloxyperoxyethane
PubChem CID22886190
Molecular FormulaC2H6O3S
Molecular Weight110.13 g/mol
Exact Mass110.00
IUPAC Namesulfanyloxyperoxyethane
SMILESCCOOOS
InChIInChI=1S/C2H6O3S/c1-2-3-4-5-6/h6H,2H2,1H3
InChIKeyAIPBTZLNOBBMKQ-UHFFFAOYSA-N
XLogP0.73
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.13
LogP ≤ 50.73
H-Bond Donors ≤ 51
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfanyloxyperoxyethane?
The IUPAC name of sulfanyloxyperoxyethane (CID 22886190) is sulfanyloxyperoxyethane.
What is the SMILES notation for sulfanyloxyperoxyethane?
The canonical SMILES for sulfanyloxyperoxyethane is CCOOOS.
What is the InChIKey of sulfanyloxyperoxyethane?
The InChIKey is AIPBTZLNOBBMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S/c1-2-3-4-5-6/h6H,2H2,1H3.
What are the key properties of sulfanyloxyperoxyethane?
sulfanyloxyperoxyethane has a molecular weight of 110.13 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanyloxyperoxyethane is sourced from PubChem (CID 22886190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).