oxo-phenoxy-sulfinooxyphosphanium

C6H6O5PS+ — CID 69029369

IUPACoxo-phenoxy-sulfinooxyphosphanium
SMILESO=[P+](Oc1ccccc1)OS(=O)O
InChIInChI=1S/C6H5O5PS/c7-12(11-13(8)9)10-6-4-2-1-3-5-6/h1-5H/p+1
InChIKeyIUUQKUYWOYFXPX-UHFFFAOYSA-O
MW221.15 g/mol
LogP1.88
Rot. Bonds4

About oxo-phenoxy-sulfinooxyphosphanium

oxo-phenoxy-sulfinooxyphosphanium (PubChem CID 69029369) has the molecular formula C6H6O5PS+ and a molecular weight of 221.15 g/mol. Its IUPAC name is oxo-phenoxy-sulfinooxyphosphanium.

Molecular Properties

Compound Nameoxo-phenoxy-sulfinooxyphosphanium
PubChem CID69029369
Molecular FormulaC6H6O5PS+
Molecular Weight221.15 g/mol
Exact Mass220.97
IUPAC Nameoxo-phenoxy-sulfinooxyphosphanium
SMILESO=[P+](Oc1ccccc1)OS(=O)O
InChIInChI=1S/C6H5O5PS/c7-12(11-13(8)9)10-6-4-2-1-3-5-6/h1-5H/p+1
InChIKeyIUUQKUYWOYFXPX-UHFFFAOYSA-O
XLogP1.88
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxo-phenoxy-sulfinooxyphosphanium?
The IUPAC name of oxo-phenoxy-sulfinooxyphosphanium (CID 69029369) is oxo-phenoxy-sulfinooxyphosphanium.
What is the SMILES notation for oxo-phenoxy-sulfinooxyphosphanium?
The canonical SMILES for oxo-phenoxy-sulfinooxyphosphanium is O=[P+](Oc1ccccc1)OS(=O)O.
What is the InChIKey of oxo-phenoxy-sulfinooxyphosphanium?
The InChIKey is IUUQKUYWOYFXPX-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5O5PS/c7-12(11-13(8)9)10-6-4-2-1-3-5-6/h1-5H/p+1.
What are the key properties of oxo-phenoxy-sulfinooxyphosphanium?
oxo-phenoxy-sulfinooxyphosphanium has a molecular weight of 221.15 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-phenoxy-sulfinooxyphosphanium is sourced from PubChem (CID 69029369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).