benzenesulfonate;diphenylphosphane;mercury(1+)

C18H16HgO3PS — CID 88837367

IUPACbenzenesulfonate;diphenylphosphane;mercury(1+)
SMILESO=S(=O)([O-])c1ccccc1.[Hg+].c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C6H6O3S.Hg/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-10(8,9)6-4-2-1-3-5-6;/h1-10,13H;1-5H,(H,7,8,9);/q;;+1/p-1
InChIKeyVBNYLOKPGRJMHD-UHFFFAOYSA-M
MW543.95 g/mol
LogP2.90
Rot. Bonds3

About benzenesulfonate;diphenylphosphane;mercury(1+)

benzenesulfonate;diphenylphosphane;mercury(1+) (PubChem CID 88837367) has the molecular formula C18H16HgO3PS and a molecular weight of 543.95 g/mol. Its IUPAC name is benzenesulfonate;diphenylphosphane;mercury(1+).

Molecular Properties

Compound Namebenzenesulfonate;diphenylphosphane;mercury(1+)
PubChem CID88837367
Molecular FormulaC18H16HgO3PS
Molecular Weight543.95 g/mol
Exact Mass545.03
IUPAC Namebenzenesulfonate;diphenylphosphane;mercury(1+)
SMILESO=S(=O)([O-])c1ccccc1.[Hg+].c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C6H6O3S.Hg/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-10(8,9)6-4-2-1-3-5-6;/h1-10,13H;1-5H,(H,7,8,9);/q;;+1/p-1
InChIKeyVBNYLOKPGRJMHD-UHFFFAOYSA-M
XLogP2.90
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.95
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzenesulfonate;diphenylphosphane;mercury(1+)?
The IUPAC name of benzenesulfonate;diphenylphosphane;mercury(1+) (CID 88837367) is benzenesulfonate;diphenylphosphane;mercury(1+).
What is the SMILES notation for benzenesulfonate;diphenylphosphane;mercury(1+)?
The canonical SMILES for benzenesulfonate;diphenylphosphane;mercury(1+) is O=S(=O)([O-])c1ccccc1.[Hg+].c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of benzenesulfonate;diphenylphosphane;mercury(1+)?
The InChIKey is VBNYLOKPGRJMHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11P.C6H6O3S.Hg/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-10(8,9)6-4-2-1-3-5-6;/h1-10,13H;1-5H,(H,7,8,9);/q;;+1/p-1.
What are the key properties of benzenesulfonate;diphenylphosphane;mercury(1+)?
benzenesulfonate;diphenylphosphane;mercury(1+) has a molecular weight of 543.95 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonate;diphenylphosphane;mercury(1+) is sourced from PubChem (CID 88837367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).