diiodomethane;1,7,2,6-dioxadithiocane 2,2,6,6-tetraoxide;oxosilver;silver;3-sulfinatopropane-1-sulfonic acid

C8H17Ag2I2O12S4- — CID 161126047

About diiodomethane;1,7,2,6-dioxadithiocane 2,2,6,6-tetraoxide;oxosilver;silver;3-sulfinatopropane-1-sulfonic acid

diiodomethane;1,7,2,6-dioxadithiocane 2,2,6,6-tetraoxide;oxosilver;silver;3-sulfinatopropane-1-sulfonic acid (PubChem CID 161126047) has the molecular formula C8H17Ag2I2O12S4- and a molecular weight of 903.02 g/mol. Its IUPAC name is diiodomethane;1,7,2,6-dioxadithiocane 2,2,6,6-tetraoxide;oxosilver;silver;3-sulfinatopropane-1-sulfonic acid.

Molecular Properties

• Compound Name: diiodomethane;1,7,2,6-dioxadithiocane 2,2,6,6-tetraoxide;oxosilver;silver;3-sulfinatopropane-1-sulfonic acid
• PubChem CID: 161126047
• Molecular Formula: C8H17Ag2I2O12S4-
• Molecular Weight: 903.02 g/mol
• Exact Mass: 900.58
• IUPAC Name: diiodomethane;1,7,2,6-dioxadithiocane 2,2,6,6-tetraoxide;oxosilver;silver;3-sulfinatopropane-1-sulfonic acid
• SMILES: ICI.O=S1(=O)CCCS(=O)(=O)OCO1.O=[Ag].O=[S-](=O)CCCS(=O)(=O)O.[Ag]
• InChI: InChI=1S/C4H8O6S2.C3H7O5S2.CH2I2.2Ag.O/c5-11(6)2-1-3-12(7,8)10-4-9-11;4-9(5)2-1-3-10(6,7)8;2-1-3;;;/h1-4H2;1-3H2,(H,6,7,8);1H2;;;/q;-1
• InChIKey: XXYKEDMACTYKJU-UHFFFAOYSA-N
• XLogP: 0.30
• TPSA: 192.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.02
LogP ≤ 5	0.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diiodomethane;1,7,2,6-dioxadithiocane 2,2,6,6-tetraoxide;oxosilver;silver;3-sulfinatopropane-1-sulfonic acid?

The IUPAC name of diiodomethane;1,7,2,6-dioxadithiocane 2,2,6,6-tetraoxide;oxosilver;silver;3-sulfinatopropane-1-sulfonic acid (CID 161126047) is diiodomethane;1,7,2,6-dioxadithiocane 2,2,6,6-tetraoxide;oxosilver;silver;3-sulfinatopropane-1-sulfonic acid.

What is the SMILES notation for diiodomethane;1,7,2,6-dioxadithiocane 2,2,6,6-tetraoxide;oxosilver;silver;3-sulfinatopropane-1-sulfonic acid?

The canonical SMILES for diiodomethane;1,7,2,6-dioxadithiocane 2,2,6,6-tetraoxide;oxosilver;silver;3-sulfinatopropane-1-sulfonic acid is ICI.O=S1(=O)CCCS(=O)(=O)OCO1.O=[Ag].O=[S-](=O)CCCS(=O)(=O)O.[Ag].

What is the InChIKey of diiodomethane;1,7,2,6-dioxadithiocane 2,2,6,6-tetraoxide;oxosilver;silver;3-sulfinatopropane-1-sulfonic acid?

The InChIKey is XXYKEDMACTYKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O6S2.C3H7O5S2.CH2I2.2Ag.O/c5-11(6)2-1-3-12(7,8)10-4-9-11;4-9(5)2-1-3-10(6,7)8;2-1-3;;;/h1-4H2;1-3H2,(H,6,7,8);1H2;;;/q;-1;;;;.

What are the key properties of diiodomethane;1,7,2,6-dioxadithiocane 2,2,6,6-tetraoxide;oxosilver;silver;3-sulfinatopropane-1-sulfonic acid?

diiodomethane;1,7,2,6-dioxadithiocane 2,2,6,6-tetraoxide;oxosilver;silver;3-sulfinatopropane-1-sulfonic acid has a molecular weight of 903.02 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for diiodomethane;1,7,2,6-dioxadithiocane 2,2,6,6-tetraoxide;oxosilver;silver;3-sulfinatopropane-1-sulfonic acid is sourced from PubChem (CID 161126047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).