hydroxy-oxo-phenylsulfanylphosphanium

C6H6O2PS+ — CID 18474363

IUPAChydroxy-oxo-phenylsulfanylphosphanium
SMILESO=[P+](O)Sc1ccccc1
InChIInChI=1S/C6H5O2PS/c7-9(8)10-6-4-2-1-3-5-6/h1-5H/p+1
InChIKeyFWANNBUJGPMBQV-UHFFFAOYSA-O
MW173.15 g/mol
LogP2.43
Rot. Bonds2

About hydroxy-oxo-phenylsulfanylphosphanium

hydroxy-oxo-phenylsulfanylphosphanium (PubChem CID 18474363) has the molecular formula C6H6O2PS+ and a molecular weight of 173.15 g/mol. Its IUPAC name is hydroxy-oxo-phenylsulfanylphosphanium.

Molecular Properties

Compound Namehydroxy-oxo-phenylsulfanylphosphanium
PubChem CID18474363
Molecular FormulaC6H6O2PS+
Molecular Weight173.15 g/mol
Exact Mass172.98
IUPAC Namehydroxy-oxo-phenylsulfanylphosphanium
SMILESO=[P+](O)Sc1ccccc1
InChIInChI=1S/C6H5O2PS/c7-9(8)10-6-4-2-1-3-5-6/h1-5H/p+1
InChIKeyFWANNBUJGPMBQV-UHFFFAOYSA-O
XLogP2.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-phenylsulfanylphosphanium?
The IUPAC name of hydroxy-oxo-phenylsulfanylphosphanium (CID 18474363) is hydroxy-oxo-phenylsulfanylphosphanium.
What is the SMILES notation for hydroxy-oxo-phenylsulfanylphosphanium?
The canonical SMILES for hydroxy-oxo-phenylsulfanylphosphanium is O=[P+](O)Sc1ccccc1.
What is the InChIKey of hydroxy-oxo-phenylsulfanylphosphanium?
The InChIKey is FWANNBUJGPMBQV-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5O2PS/c7-9(8)10-6-4-2-1-3-5-6/h1-5H/p+1.
What are the key properties of hydroxy-oxo-phenylsulfanylphosphanium?
hydroxy-oxo-phenylsulfanylphosphanium has a molecular weight of 173.15 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-phenylsulfanylphosphanium is sourced from PubChem (CID 18474363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).