sodium chloro-(4-sulfonatophenyl)mercury

C6H4ClHgNaO3S — CID 3653477

IUPACsodium chloro-(4-sulfonatophenyl)mercury
SMILESO=S(=O)([O-])c1ccc([Hg]Cl)cc1.[Na+]
InChIInChI=1S/C6H5O3S.ClH.Hg.Na/c7-10(8,9)6-4-2-1-3-5-6;;;/h2-5H,(H,7,8,9);1H;;/q;;2*+1/p-2
InChIKeyBPDSRKSETVILKT-UHFFFAOYSA-L
MW415.20 g/mol
LogP-2.54
Rot. Bonds2

About sodium chloro-(4-sulfonatophenyl)mercury

sodium chloro-(4-sulfonatophenyl)mercury (PubChem CID 3653477) has the molecular formula C6H4ClHgNaO3S and a molecular weight of 415.20 g/mol. Its IUPAC name is sodium chloro-(4-sulfonatophenyl)mercury.

Molecular Properties

Compound Namesodium chloro-(4-sulfonatophenyl)mercury
PubChem CID3653477
Molecular FormulaC6H4ClHgNaO3S
Molecular Weight415.20 g/mol
Exact Mass415.92
IUPAC Namesodium chloro-(4-sulfonatophenyl)mercury
SMILESO=S(=O)([O-])c1ccc([Hg]Cl)cc1.[Na+]
InChIInChI=1S/C6H5O3S.ClH.Hg.Na/c7-10(8,9)6-4-2-1-3-5-6;;;/h2-5H,(H,7,8,9);1H;;/q;;2*+1/p-2
InChIKeyBPDSRKSETVILKT-UHFFFAOYSA-L
XLogP-2.54
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.20
LogP ≤ 5-2.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium chloro-(4-sulfonatophenyl)mercury?
The IUPAC name of sodium chloro-(4-sulfonatophenyl)mercury (CID 3653477) is sodium chloro-(4-sulfonatophenyl)mercury.
What is the SMILES notation for sodium chloro-(4-sulfonatophenyl)mercury?
The canonical SMILES for sodium chloro-(4-sulfonatophenyl)mercury is O=S(=O)([O-])c1ccc([Hg]Cl)cc1.[Na+].
What is the InChIKey of sodium chloro-(4-sulfonatophenyl)mercury?
The InChIKey is BPDSRKSETVILKT-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H5O3S.ClH.Hg.Na/c7-10(8,9)6-4-2-1-3-5-6;;;/h2-5H,(H,7,8,9);1H;;/q;;2*+1/p-2.
What are the key properties of sodium chloro-(4-sulfonatophenyl)mercury?
sodium chloro-(4-sulfonatophenyl)mercury has a molecular weight of 415.20 g/mol, XLogP of -2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium chloro-(4-sulfonatophenyl)mercury is sourced from PubChem (CID 3653477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).