sulfanylperoxyperoxymethane

CH4O4S — CID 23404984

IUPACsulfanylperoxyperoxymethane
SMILESCOOOOS
InChIInChI=1S/CH4O4S/c1-2-3-4-5-6/h6H,1H3
InChIKeyWLBWYVZXBBYOFN-UHFFFAOYSA-N
MW112.11 g/mol
LogP0.27
Rot. Bonds3

About sulfanylperoxyperoxymethane

sulfanylperoxyperoxymethane (PubChem CID 23404984) has the molecular formula CH4O4S and a molecular weight of 112.11 g/mol. Its IUPAC name is sulfanylperoxyperoxymethane.

Molecular Properties

Compound Namesulfanylperoxyperoxymethane
PubChem CID23404984
Molecular FormulaCH4O4S
Molecular Weight112.11 g/mol
Exact Mass111.98
IUPAC Namesulfanylperoxyperoxymethane
SMILESCOOOOS
InChIInChI=1S/CH4O4S/c1-2-3-4-5-6/h6H,1H3
InChIKeyWLBWYVZXBBYOFN-UHFFFAOYSA-N
XLogP0.27
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.11
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 sulfanylperoxyperoxymethane?
The IUPAC name of sulfanylperoxyperoxymethane (CID 23404984) is sulfanylperoxyperoxymethane.
What is the SMILES notation for sulfanylperoxyperoxymethane?
The canonical SMILES for sulfanylperoxyperoxymethane is COOOOS.
What is the InChIKey of sulfanylperoxyperoxymethane?
The InChIKey is WLBWYVZXBBYOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O4S/c1-2-3-4-5-6/h6H,1H3.
What are the key properties of sulfanylperoxyperoxymethane?
sulfanylperoxyperoxymethane has a molecular weight of 112.11 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanylperoxyperoxymethane is sourced from PubChem (CID 23404984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).