silver 3-iodobenzenesulfonate

C6H4AgIO3S — CID 139842142

IUPACsilver 3-iodobenzenesulfonate
SMILESO=S(=O)([O-])c1cccc(I)c1.[Ag+]
InChIInChI=1S/C6H5IO3S.Ag/c7-5-2-1-3-6(4-5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+1/p-1
InChIKeyANVWNLRAZKGGLY-UHFFFAOYSA-M
MW390.93 g/mol
LogP1.19
Rot. Bonds1

About silver 3-iodobenzenesulfonate

silver 3-iodobenzenesulfonate (PubChem CID 139842142) has the molecular formula C6H4AgIO3S and a molecular weight of 390.93 g/mol. Its IUPAC name is silver 3-iodobenzenesulfonate.

Molecular Properties

Compound Namesilver 3-iodobenzenesulfonate
PubChem CID139842142
Molecular FormulaC6H4AgIO3S
Molecular Weight390.93 g/mol
Exact Mass389.80
IUPAC Namesilver 3-iodobenzenesulfonate
SMILESO=S(=O)([O-])c1cccc(I)c1.[Ag+]
InChIInChI=1S/C6H5IO3S.Ag/c7-5-2-1-3-6(4-5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+1/p-1
InChIKeyANVWNLRAZKGGLY-UHFFFAOYSA-M
XLogP1.19
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.93
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of silver 3-iodobenzenesulfonate?
The IUPAC name of silver 3-iodobenzenesulfonate (CID 139842142) is silver 3-iodobenzenesulfonate.
What is the SMILES notation for silver 3-iodobenzenesulfonate?
The canonical SMILES for silver 3-iodobenzenesulfonate is O=S(=O)([O-])c1cccc(I)c1.[Ag+].
What is the InChIKey of silver 3-iodobenzenesulfonate?
The InChIKey is ANVWNLRAZKGGLY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5IO3S.Ag/c7-5-2-1-3-6(4-5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+1/p-1.
What are the key properties of silver 3-iodobenzenesulfonate?
silver 3-iodobenzenesulfonate has a molecular weight of 390.93 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for silver 3-iodobenzenesulfonate is sourced from PubChem (CID 139842142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).