mercury(1+);5-sulfinatonaphthalene-1,4-dione

C10H5HgO4S — CID 175318135

IUPACmercury(1+);5-sulfinatonaphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2c1cccc2[S-](=O)=O.[Hg+]
InChIInChI=1S/C10H5O4S.Hg/c11-7-4-5-8(12)10-6(7)2-1-3-9(10)15(13)14;/h1-5H;/q-1;+1
InChIKeyOPKVQRKHMVLMBK-UHFFFAOYSA-N
MW421.80 g/mol
LogP1.29
Rot. Bonds1

About mercury(1+);5-sulfinatonaphthalene-1,4-dione

mercury(1+);5-sulfinatonaphthalene-1,4-dione (PubChem CID 175318135) has the molecular formula C10H5HgO4S and a molecular weight of 421.80 g/mol. Its IUPAC name is mercury(1+);5-sulfinatonaphthalene-1,4-dione.

Molecular Properties

Compound Namemercury(1+);5-sulfinatonaphthalene-1,4-dione
PubChem CID175318135
Molecular FormulaC10H5HgO4S
Molecular Weight421.80 g/mol
Exact Mass422.96
IUPAC Namemercury(1+);5-sulfinatonaphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2c1cccc2[S-](=O)=O.[Hg+]
InChIInChI=1S/C10H5O4S.Hg/c11-7-4-5-8(12)10-6(7)2-1-3-9(10)15(13)14;/h1-5H;/q-1;+1
InChIKeyOPKVQRKHMVLMBK-UHFFFAOYSA-N
XLogP1.29
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.80
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of mercury(1+);5-sulfinatonaphthalene-1,4-dione?
The IUPAC name of mercury(1+);5-sulfinatonaphthalene-1,4-dione (CID 175318135) is mercury(1+);5-sulfinatonaphthalene-1,4-dione.
What is the SMILES notation for mercury(1+);5-sulfinatonaphthalene-1,4-dione?
The canonical SMILES for mercury(1+);5-sulfinatonaphthalene-1,4-dione is O=C1C=CC(=O)c2c1cccc2[S-](=O)=O.[Hg+].
What is the InChIKey of mercury(1+);5-sulfinatonaphthalene-1,4-dione?
The InChIKey is OPKVQRKHMVLMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5O4S.Hg/c11-7-4-5-8(12)10-6(7)2-1-3-9(10)15(13)14;/h1-5H;/q-1;+1.
What are the key properties of mercury(1+);5-sulfinatonaphthalene-1,4-dione?
mercury(1+);5-sulfinatonaphthalene-1,4-dione has a molecular weight of 421.80 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for mercury(1+);5-sulfinatonaphthalene-1,4-dione is sourced from PubChem (CID 175318135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).