Bis(diethyldithiocarbamato-S,S')lead

C10H20N2PbS4 — CID 28593

IUPACbis(N,N-diethylcarbamodithioate);lead(2+)
SMILESCCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Pb+2]
InChIInChI=1S/2C5H11NS2.Pb/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2
InChIKeyXTFSWQKNABTKAT-UHFFFAOYSA-L
MW504.00 g/mol
LogP—
Rot. Bonds4

About Bis(diethyldithiocarbamato-S,S')lead

Bis(diethyldithiocarbamato-S,S')lead (PubChem CID 28593) has the molecular formula C10H20N2PbS4 and a molecular weight of 504.00 g/mol. Its IUPAC name is bis(N,N-diethylcarbamodithioate);lead(2+).

Molecular Properties

Compound NameBis(diethyldithiocarbamato-S,S')lead
PubChem CID28593
Molecular FormulaC10H20N2PbS4
Molecular Weight504.00 g/mol
Exact Mass504.03
IUPAC Namebis(N,N-diethylcarbamodithioate);lead(2+)
SMILESCCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Pb+2]
InChIInChI=1S/2C5H11NS2.Pb/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2
InChIKeyXTFSWQKNABTKAT-UHFFFAOYSA-L
XLogP—
TPSA72.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity73

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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(diethyldithiocarbamato-S,S')lead?
The IUPAC name of Bis(diethyldithiocarbamato-S,S')lead (CID 28593) is bis(N,N-diethylcarbamodithioate);lead(2+).
What is the SMILES notation for Bis(diethyldithiocarbamato-S,S')lead?
The canonical SMILES for Bis(diethyldithiocarbamato-S,S')lead is CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Pb+2].
What is the InChIKey of Bis(diethyldithiocarbamato-S,S')lead?
The InChIKey is XTFSWQKNABTKAT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H11NS2.Pb/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2.
What are the key properties of Bis(diethyldithiocarbamato-S,S')lead?
Bis(diethyldithiocarbamato-S,S')lead has a molecular weight of 504.00 g/mol, XLogP of not available, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(diethyldithiocarbamato-S,S')lead is sourced from PubChem (CID 28593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).