chloro-(4-sulfophenyl)mercury

C6H5ClHgO3S — CID 11136

IUPACchloro-(4-sulfophenyl)mercury
SMILESO=S(=O)(O)c1ccc([Hg]Cl)cc1
InChIInChI=1S/C6H5O3S.ClH.Hg/c7-10(8,9)6-4-2-1-3-5-6;;/h2-5H,(H,7,8,9);1H;/q;;+1/p-1
InChIKeyXXEBDPRHFAWOND-UHFFFAOYSA-M
MW393.21 g/mol
LogP0.79
Rot. Bonds2

About chloro-(4-sulfophenyl)mercury

chloro-(4-sulfophenyl)mercury (PubChem CID 11136) has the molecular formula C6H5ClHgO3S and a molecular weight of 393.21 g/mol. Its IUPAC name is chloro-(4-sulfophenyl)mercury.

Molecular Properties

Compound Namechloro-(4-sulfophenyl)mercury
PubChem CID11136
Molecular FormulaC6H5ClHgO3S
Molecular Weight393.21 g/mol
Exact Mass393.94
IUPAC Namechloro-(4-sulfophenyl)mercury
SMILESO=S(=O)(O)c1ccc([Hg]Cl)cc1
InChIInChI=1S/C6H5O3S.ClH.Hg/c7-10(8,9)6-4-2-1-3-5-6;;/h2-5H,(H,7,8,9);1H;/q;;+1/p-1
InChIKeyXXEBDPRHFAWOND-UHFFFAOYSA-M
XLogP0.79
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 chloro-(4-sulfophenyl)mercury?
The IUPAC name of chloro-(4-sulfophenyl)mercury (CID 11136) is chloro-(4-sulfophenyl)mercury.
What is the SMILES notation for chloro-(4-sulfophenyl)mercury?
The canonical SMILES for chloro-(4-sulfophenyl)mercury is O=S(=O)(O)c1ccc([Hg]Cl)cc1.
What is the InChIKey of chloro-(4-sulfophenyl)mercury?
The InChIKey is XXEBDPRHFAWOND-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5O3S.ClH.Hg/c7-10(8,9)6-4-2-1-3-5-6;;/h2-5H,(H,7,8,9);1H;/q;;+1/p-1.
What are the key properties of chloro-(4-sulfophenyl)mercury?
chloro-(4-sulfophenyl)mercury has a molecular weight of 393.21 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-sulfophenyl)mercury is sourced from PubChem (CID 11136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).