$l^{2}-lead(2+) ion bis(piperidine-1-carbothioylsulfanide)

• ChemBase ID: 107996
• Molecular Formular: C12H20N2PbS4
• Molecular Mass: 527.7606
• Monoisotopic Mass: 528.02758465
• SMILES: [Pb+2].[S-]C(=S)N1CCCCC1.[S-]C(=S)N1CCCCC1
• Canonical SMILES: [S-]C(=S)N1CCCCC1.[S-]C(=S)N1CCCCC1.[Pb+2]
• InChI: InChI=1S/2C6H11NS2.Pb/c2*8-6(9)7-4-2-1-3-5-7;/h2*1-5H2,(H,8,9);/q;;+2/p-2
• InChIKey: WRBHGAMSUYCQFW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: $l^{2}-lead(2+) ion bis(piperidine-1-carbothioylsulfanide)
• IUPAC Traditional name: $l^{2}-lead(2+) ion bis(piperidine-1-carbothioylsulfanide)
• Synonyms: LEAD PENTAMETHYLENE DITHIOCARBAMATE; LEAD CYCLOPENTAMETHYLENEDITHIOCARBAMATE

Database IDs

• CAS Number: 41556-46-1
• PubChem SID: 162094903
• PubChem CID: 6451765

CALCULATED PROPERTIES

• Acid pKa: 1.9998499
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0029957
• LogD (pH = 7.4): 1.0012513
• Log P: 2.144211
• Molar Refractivity: 48.4027 cm^3
• Polarizability: 19.016254 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05212595

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05205716

MP Biomedicals Rare Chemical collection