bis(mercury(1+));mercury(2+);disulfate

Hg3O8S2 — CID 173019546

IUPACbis(mercury(1+));mercury(2+);disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Hg+2].[Hg+].[Hg+]
InChIInChI=1S/3Hg.2H2O4S/c;;;2*1-5(2,3)4/h;;;2*(H2,1,2,3,4)/q2*+1;+2;;/p-4
InChIKeySHYAYGGFLVTCIT-UHFFFAOYSA-J
MW793.90 g/mol
LogP-2.68
Rot. Bonds

About bis(mercury(1+));mercury(2+);disulfate

bis(mercury(1+));mercury(2+);disulfate (PubChem CID 173019546) has the molecular formula Hg3O8S2 and a molecular weight of 793.90 g/mol. Its IUPAC name is bis(mercury(1+));mercury(2+);disulfate.

Molecular Properties

Compound Namebis(mercury(1+));mercury(2+);disulfate
PubChem CID173019546
Molecular FormulaHg3O8S2
Molecular Weight793.90 g/mol
Exact Mass797.82
IUPAC Namebis(mercury(1+));mercury(2+);disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Hg+2].[Hg+].[Hg+]
InChIInChI=1S/3Hg.2H2O4S/c;;;2*1-5(2,3)4/h;;;2*(H2,1,2,3,4)/q2*+1;+2;;/p-4
InChIKeySHYAYGGFLVTCIT-UHFFFAOYSA-J
XLogP-2.68
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500793.90
LogP ≤ 5-2.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

tetrakis(mercury(2+));sulfate
CID 22023485
hexadecasilver;octasulfate
CID 174664647
silver;zinc;sulfate
CID 157447446
CID 23615458
CID 23615458
tris(vanadium);pentasulfate
CID 173042063
dilithium;cobalt;sulfate
CID 174060420
octaazanium;tetrasulfate
CID 86742620
azanium sulfate
CID 21225610
aluminum;lithium;sulfate
CID 23446975
cerium trisulfate
CID 160867766
octacosacopper;pentasulfate
CID 173053964
sulfate trihydrate
CID 22613957

Frequently Asked Questions

What is the IUPAC name of bis(mercury(1+));mercury(2+);disulfate?
The IUPAC name of bis(mercury(1+));mercury(2+);disulfate (CID 173019546) is bis(mercury(1+));mercury(2+);disulfate.
What is the SMILES notation for bis(mercury(1+));mercury(2+);disulfate?
The canonical SMILES for bis(mercury(1+));mercury(2+);disulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Hg+2].[Hg+].[Hg+].
What is the InChIKey of bis(mercury(1+));mercury(2+);disulfate?
The InChIKey is SHYAYGGFLVTCIT-UHFFFAOYSA-J. The full InChI is InChI=1S/3Hg.2H2O4S/c;;;2*1-5(2,3)4/h;;;2*(H2,1,2,3,4)/q2*+1;+2;;/p-4.
What are the key properties of bis(mercury(1+));mercury(2+);disulfate?
bis(mercury(1+));mercury(2+);disulfate has a molecular weight of 793.90 g/mol, XLogP of -2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(mercury(1+));mercury(2+);disulfate is sourced from PubChem (CID 173019546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).