4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate

C12H10O8PbS2 — CID 101301315

IUPAC4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate
SMILESO=S(=O)(O)c1ccc(O)cc1.O=S(=O)([O-])c1ccc([O-])cc1.[Pb+2]
InChIInChI=1S/2C6H6O4S.Pb/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2
InChIKeyKDMRZXXAKLQYQE-UHFFFAOYSA-L
MW553.54 g/mol
LogP-0.08
Rot. Bonds2

About 4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate

4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate (PubChem CID 101301315) has the molecular formula C12H10O8PbS2 and a molecular weight of 553.54 g/mol. Its IUPAC name is 4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate.

Molecular Properties

Compound Name4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate
PubChem CID101301315
Molecular FormulaC12H10O8PbS2
Molecular Weight553.54 g/mol
Exact Mass553.96
IUPAC Name4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate
SMILESO=S(=O)(O)c1ccc(O)cc1.O=S(=O)([O-])c1ccc([O-])cc1.[Pb+2]
InChIInChI=1S/2C6H6O4S.Pb/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2
InChIKeyKDMRZXXAKLQYQE-UHFFFAOYSA-L
XLogP-0.08
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.54
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate?
The IUPAC name of 4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate (CID 101301315) is 4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate.
What is the SMILES notation for 4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate?
The canonical SMILES for 4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate is O=S(=O)(O)c1ccc(O)cc1.O=S(=O)([O-])c1ccc([O-])cc1.[Pb+2].
What is the InChIKey of 4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate?
The InChIKey is KDMRZXXAKLQYQE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6O4S.Pb/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2.
What are the key properties of 4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate?
4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate has a molecular weight of 553.54 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate is sourced from PubChem (CID 101301315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).