ethyl sulfate;mercury(1+)

C2H5HgO4S — CID 25090602

About ethyl sulfate;mercury(1+)

ethyl sulfate;mercury(1+) (PubChem CID 25090602) has the molecular formula C2H5HgO4S and a molecular weight of 325.72 g/mol. Its IUPAC name is ethyl sulfate;mercury(1+).

Molecular Properties

• Compound Name: ethyl sulfate;mercury(1+)
• PubChem CID: 25090602
• Molecular Formula: C2H5HgO4S
• Molecular Weight: 325.72 g/mol
• Exact Mass: 326.96
• IUPAC Name: ethyl sulfate;mercury(1+)
• SMILES: CCOS(=O)(=O)[O-].[Hg+]
• InChI: InChI=1S/C2H6O4S.Hg/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1
• InChIKey: XSAODWINFUJGBE-UHFFFAOYSA-M
• XLogP: -0.52
• TPSA: 66.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.72
LogP ≤ 5	-0.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl sulfate;mercury(1+)?

The IUPAC name of ethyl sulfate;mercury(1+) (CID 25090602) is ethyl sulfate;mercury(1+).

What is the SMILES notation for ethyl sulfate;mercury(1+)?

The canonical SMILES for ethyl sulfate;mercury(1+) is CCOS(=O)(=O)[O-].[Hg+].

What is the InChIKey of ethyl sulfate;mercury(1+)?

The InChIKey is XSAODWINFUJGBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O4S.Hg/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1.

What are the key properties of ethyl sulfate;mercury(1+)?

ethyl sulfate;mercury(1+) has a molecular weight of 325.72 g/mol, XLogP of -0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl sulfate;mercury(1+) is sourced from PubChem (CID 25090602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).