bis(butoxymethanedithioate);palladium(2+)

C10H18O2PdS4 — CID 141393221

IUPACbis(butoxymethanedithioate);palladium(2+)
SMILESCCCCOC(=S)[S-].CCCCOC(=S)[S-].[Pd+2]
InChIInChI=1S/2C5H10OS2.Pd/c2*1-2-3-4-6-5(7)8;/h2*2-4H2,1H3,(H,7,8);/q;;+2/p-2
InChIKeyOIPIRMBFENKTMH-UHFFFAOYSA-L
MW404.94 g/mol
LogP3.27
Rot. Bonds6

About bis(butoxymethanedithioate);palladium(2+)

bis(butoxymethanedithioate);palladium(2+) (PubChem CID 141393221) has the molecular formula C10H18O2PdS4 and a molecular weight of 404.94 g/mol. Its IUPAC name is bis(butoxymethanedithioate);palladium(2+).

Molecular Properties

Compound Namebis(butoxymethanedithioate);palladium(2+)
PubChem CID141393221
Molecular FormulaC10H18O2PdS4
Molecular Weight404.94 g/mol
Exact Mass403.92
IUPAC Namebis(butoxymethanedithioate);palladium(2+)
SMILESCCCCOC(=S)[S-].CCCCOC(=S)[S-].[Pd+2]
InChIInChI=1S/2C5H10OS2.Pd/c2*1-2-3-4-6-5(7)8;/h2*2-4H2,1H3,(H,7,8);/q;;+2/p-2
InChIKeyOIPIRMBFENKTMH-UHFFFAOYSA-L
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(butoxymethanedithioate);palladium(2+)?
The IUPAC name of bis(butoxymethanedithioate);palladium(2+) (CID 141393221) is bis(butoxymethanedithioate);palladium(2+).
What is the SMILES notation for bis(butoxymethanedithioate);palladium(2+)?
The canonical SMILES for bis(butoxymethanedithioate);palladium(2+) is CCCCOC(=S)[S-].CCCCOC(=S)[S-].[Pd+2].
What is the InChIKey of bis(butoxymethanedithioate);palladium(2+)?
The InChIKey is OIPIRMBFENKTMH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H10OS2.Pd/c2*1-2-3-4-6-5(7)8;/h2*2-4H2,1H3,(H,7,8);/q;;+2/p-2.
What are the key properties of bis(butoxymethanedithioate);palladium(2+)?
bis(butoxymethanedithioate);palladium(2+) has a molecular weight of 404.94 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butoxymethanedithioate);palladium(2+) is sourced from PubChem (CID 141393221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).