chloro-(4-sulfonatophenyl)mercury

C6H4ClHgO3S- — CID 5460705

IUPACchloro-(4-sulfonatophenyl)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-2
InChIKeyXXEBDPRHFAWOND-UHFFFAOYSA-L
MW392.21 g/mol
LogP0.45
Rot. Bonds2

About chloro-(4-sulfonatophenyl)mercury

chloro-(4-sulfonatophenyl)mercury (PubChem CID 5460705) has the molecular formula C6H4ClHgO3S- and a molecular weight of 392.21 g/mol. Its IUPAC name is chloro-(4-sulfonatophenyl)mercury.

Molecular Properties

Compound Namechloro-(4-sulfonatophenyl)mercury
PubChem CID5460705
Molecular FormulaC6H4ClHgO3S-
Molecular Weight392.21 g/mol
Exact Mass392.93
IUPAC Namechloro-(4-sulfonatophenyl)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-2
InChIKeyXXEBDPRHFAWOND-UHFFFAOYSA-L
XLogP0.45
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.21
LogP ≤ 50.45
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 chloro-(4-sulfonatophenyl)mercury?
The IUPAC name of chloro-(4-sulfonatophenyl)mercury (CID 5460705) is chloro-(4-sulfonatophenyl)mercury.
What is the SMILES notation for chloro-(4-sulfonatophenyl)mercury?
The canonical SMILES for chloro-(4-sulfonatophenyl)mercury is O=S(=O)([O-])c1ccc([Hg]Cl)cc1.
What is the InChIKey of chloro-(4-sulfonatophenyl)mercury?
The InChIKey is XXEBDPRHFAWOND-UHFFFAOYSA-L. 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-2.
What are the key properties of chloro-(4-sulfonatophenyl)mercury?
chloro-(4-sulfonatophenyl)mercury has a molecular weight of 392.21 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-sulfonatophenyl)mercury is sourced from PubChem (CID 5460705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).