palladium;2-phosphanylbenzenesulfonic acid

C6H7O3PPdS — CID 175131812

IUPACpalladium;2-phosphanylbenzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1P.[Pd]
InChIInChI=1S/C6H7O3PS.Pd/c7-11(8,9)6-4-2-1-3-5(6)10;/h1-4H,10H2,(H,7,8,9);
InChIKeyPNLOOYNXLZFAAE-UHFFFAOYSA-N
MW296.58 g/mol
LogP0.43
Rot. Bonds1

About palladium;2-phosphanylbenzenesulfonic acid

palladium;2-phosphanylbenzenesulfonic acid (PubChem CID 175131812) has the molecular formula C6H7O3PPdS and a molecular weight of 296.58 g/mol. Its IUPAC name is palladium;2-phosphanylbenzenesulfonic acid.

Molecular Properties

Compound Namepalladium;2-phosphanylbenzenesulfonic acid
PubChem CID175131812
Molecular FormulaC6H7O3PPdS
Molecular Weight296.58 g/mol
Exact Mass295.89
IUPAC Namepalladium;2-phosphanylbenzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1P.[Pd]
InChIInChI=1S/C6H7O3PS.Pd/c7-11(8,9)6-4-2-1-3-5(6)10;/h1-4H,10H2,(H,7,8,9);
InChIKeyPNLOOYNXLZFAAE-UHFFFAOYSA-N
XLogP0.43
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.58
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

trisodium;hydride;2-phosphanylbenzenesulfonic acid
CID 173271580
2-methylbenzenesulfonic acid
CID 6925
2-methylbenzenesulfonic acid;nickel
CID 174250296
ethane;2-methylbenzenesulfonic acid
CID 54049338
benzene;2-fluorobenzenesulfonic acid
CID 174946544
2-iodylbenzenesulfonic acid
CID 23357018
2-methylbenzenesulfonic acid;hydroiodide
CID 173271723
2-hydroxybenzenesulfonic acid;N-methylmethanamine
CID 87510356
potassium;2-chlorobenzenesulfonic acid;hydride
CID 173108093
naphthalene-1-sulfonic acid
CID 158712346
naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218

Frequently Asked Questions

What is the IUPAC name of palladium;2-phosphanylbenzenesulfonic acid?
The IUPAC name of palladium;2-phosphanylbenzenesulfonic acid (CID 175131812) is palladium;2-phosphanylbenzenesulfonic acid.
What is the SMILES notation for palladium;2-phosphanylbenzenesulfonic acid?
The canonical SMILES for palladium;2-phosphanylbenzenesulfonic acid is O=S(=O)(O)c1ccccc1P.[Pd].
What is the InChIKey of palladium;2-phosphanylbenzenesulfonic acid?
The InChIKey is PNLOOYNXLZFAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O3PS.Pd/c7-11(8,9)6-4-2-1-3-5(6)10;/h1-4H,10H2,(H,7,8,9);.
What are the key properties of palladium;2-phosphanylbenzenesulfonic acid?
palladium;2-phosphanylbenzenesulfonic acid has a molecular weight of 296.58 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;2-phosphanylbenzenesulfonic acid is sourced from PubChem (CID 175131812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).