benzenesulfonic acid;mercury(1+);hydrate

C6H8HgO4S+ — CID 21150893

IUPACbenzenesulfonic acid;mercury(1+);hydrate
SMILESO.O=S(=O)(O)c1ccccc1.[Hg+]
InChIInChI=1S/C6H6O3S.Hg.H2O/c7-10(8,9)6-4-2-1-3-5-6;;/h1-5H,(H,7,8,9);;1H2/q;+1;
InChIKeyCOTVVODXYBINMH-UHFFFAOYSA-N
MW376.78 g/mol
LogP0.11
Rot. Bonds1

About benzenesulfonic acid;mercury(1+);hydrate

benzenesulfonic acid;mercury(1+);hydrate (PubChem CID 21150893) has the molecular formula C6H8HgO4S+ and a molecular weight of 376.78 g/mol. Its IUPAC name is benzenesulfonic acid;mercury(1+);hydrate.

Molecular Properties

Compound Namebenzenesulfonic acid;mercury(1+);hydrate
PubChem CID21150893
Molecular FormulaC6H8HgO4S+
Molecular Weight376.78 g/mol
Exact Mass377.98
IUPAC Namebenzenesulfonic acid;mercury(1+);hydrate
SMILESO.O=S(=O)(O)c1ccccc1.[Hg+]
InChIInChI=1S/C6H6O3S.Hg.H2O/c7-10(8,9)6-4-2-1-3-5-6;;/h1-5H,(H,7,8,9);;1H2/q;+1;
InChIKeyCOTVVODXYBINMH-UHFFFAOYSA-N
XLogP0.11
TPSA85.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.78
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzenesulfonic acid;mercury(1+);hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzenesulfonic acid;mercury(1+);hydrate?
The IUPAC name of benzenesulfonic acid;mercury(1+);hydrate (CID 21150893) is benzenesulfonic acid;mercury(1+);hydrate.
What is the SMILES notation for benzenesulfonic acid;mercury(1+);hydrate?
The canonical SMILES for benzenesulfonic acid;mercury(1+);hydrate is O.O=S(=O)(O)c1ccccc1.[Hg+].
What is the InChIKey of benzenesulfonic acid;mercury(1+);hydrate?
The InChIKey is COTVVODXYBINMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3S.Hg.H2O/c7-10(8,9)6-4-2-1-3-5-6;;/h1-5H,(H,7,8,9);;1H2/q;+1;.
What are the key properties of benzenesulfonic acid;mercury(1+);hydrate?
benzenesulfonic acid;mercury(1+);hydrate has a molecular weight of 376.78 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonic acid;mercury(1+);hydrate is sourced from PubChem (CID 21150893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).