sodium;ethane;mercury(2+);2-sulfidobenzoate

C9H9HgNaO2S — CID 170839272

IUPACsodium;ethane;mercury(2+);2-sulfidobenzoate
SMILESO=C([O-])c1ccccc1[S-].[CH2-]C.[Hg+2].[Na+]
InChIInChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;-1;+2;+1/p-2
InChIKeySKLIKZFOTSKEKY-UHFFFAOYSA-L
MW404.82 g/mol
LogP-2.20
Rot. Bonds1

About sodium;ethane;mercury(2+);2-sulfidobenzoate

sodium;ethane;mercury(2+);2-sulfidobenzoate (PubChem CID 170839272) has the molecular formula C9H9HgNaO2S and a molecular weight of 404.82 g/mol. Its IUPAC name is sodium;ethane;mercury(2+);2-sulfidobenzoate.

Molecular Properties

Compound Namesodium;ethane;mercury(2+);2-sulfidobenzoate
PubChem CID170839272
Molecular FormulaC9H9HgNaO2S
Molecular Weight404.82 g/mol
Exact Mass405.99
IUPAC Namesodium;ethane;mercury(2+);2-sulfidobenzoate
SMILESO=C([O-])c1ccccc1[S-].[CH2-]C.[Hg+2].[Na+]
InChIInChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;-1;+2;+1/p-2
InChIKeySKLIKZFOTSKEKY-UHFFFAOYSA-L
XLogP-2.20
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.82
LogP ≤ 5-2.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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 sodium;ethane;mercury(2+);2-sulfidobenzoate?
The IUPAC name of sodium;ethane;mercury(2+);2-sulfidobenzoate (CID 170839272) is sodium;ethane;mercury(2+);2-sulfidobenzoate.
What is the SMILES notation for sodium;ethane;mercury(2+);2-sulfidobenzoate?
The canonical SMILES for sodium;ethane;mercury(2+);2-sulfidobenzoate is O=C([O-])c1ccccc1[S-].[CH2-]C.[Hg+2].[Na+].
What is the InChIKey of sodium;ethane;mercury(2+);2-sulfidobenzoate?
The InChIKey is SKLIKZFOTSKEKY-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;-1;+2;+1/p-2.
What are the key properties of sodium;ethane;mercury(2+);2-sulfidobenzoate?
sodium;ethane;mercury(2+);2-sulfidobenzoate has a molecular weight of 404.82 g/mol, XLogP of -2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethane;mercury(2+);2-sulfidobenzoate is sourced from PubChem (CID 170839272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).