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

• ChemBase编号: 107996
• 分子式: C12H20N2PbS4
• 平均质量: 527.7606
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: $l^{2}-lead(2+) ion bis(piperidine-1-carbothioylsulfanide)
• IUPAC传统名: $l^{2}-lead(2+) ion bis(piperidine-1-carbothioylsulfanide)
• 别名: LEAD PENTAMETHYLENE DITHIOCARBAMATE; LEAD CYCLOPENTAMETHYLENEDITHIOCARBAMATE

登记号

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

理论计算性质

• Acid pKa: 1.9998499
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.0029957
• LogD (pH = 7.4): 1.0012513
• Log P: 2.144211
• 摩尔折射率: 48.4027 cm^3
• 极化性: 19.016254 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 05212595

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05205716

MP Biomedicals Rare Chemical collection