methylsulfonylperoxy(oxo)phosphanium

CH4O5PS+ — CID 154120858

IUPACmethylsulfonylperoxy(oxo)phosphanium
SMILESCS(=O)(=O)OO[PH+]=O
InChIInChI=1S/CH4O5PS/c1-8(3,4)6-5-7-2/h7H,1H3/q+1
InChIKeyAYIRMMJVMWNJNF-UHFFFAOYSA-N
MW159.08 g/mol
LogP-0.17
Rot. Bonds3

About methylsulfonylperoxy(oxo)phosphanium

methylsulfonylperoxy(oxo)phosphanium (PubChem CID 154120858) has the molecular formula CH4O5PS+ and a molecular weight of 159.08 g/mol. Its IUPAC name is methylsulfonylperoxy(oxo)phosphanium.

Molecular Properties

Compound Namemethylsulfonylperoxy(oxo)phosphanium
PubChem CID154120858
Molecular FormulaCH4O5PS+
Molecular Weight159.08 g/mol
Exact Mass158.95
IUPAC Namemethylsulfonylperoxy(oxo)phosphanium
SMILESCS(=O)(=O)OO[PH+]=O
InChIInChI=1S/CH4O5PS/c1-8(3,4)6-5-7-2/h7H,1H3/q+1
InChIKeyAYIRMMJVMWNJNF-UHFFFAOYSA-N
XLogP-0.17
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.08
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylsulfonylperoxy(oxo)phosphanium?
The IUPAC name of methylsulfonylperoxy(oxo)phosphanium (CID 154120858) is methylsulfonylperoxy(oxo)phosphanium.
What is the SMILES notation for methylsulfonylperoxy(oxo)phosphanium?
The canonical SMILES for methylsulfonylperoxy(oxo)phosphanium is CS(=O)(=O)OO[PH+]=O.
What is the InChIKey of methylsulfonylperoxy(oxo)phosphanium?
The InChIKey is AYIRMMJVMWNJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O5PS/c1-8(3,4)6-5-7-2/h7H,1H3/q+1.
What are the key properties of methylsulfonylperoxy(oxo)phosphanium?
methylsulfonylperoxy(oxo)phosphanium has a molecular weight of 159.08 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylperoxy(oxo)phosphanium is sourced from PubChem (CID 154120858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).