1,2,3,4,5-pentafluoro-6-({[(pentafluorophenyl)sulfanyl]cuprio}sulfanyl)benzene

• ChemBase编号: 99255
• 分子式: C12CuF10S2
• 平均质量: 461.788432
• 单一同位素质量: 460.8577717
• SMILES: S(c1c(c(c(c(c1F)F)F)F)F)[Cu]Sc1c(c(c(c(c1F)F)F)F)F
• Canonical SMILES: Fc1c(S[Cu]Sc2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/2C6HF5S.Cu/c2*7-1-2(8)4(10)6(12)5(11)3(1)9;/h2*12H;/q;;+2/p-2
• InChIKey: IITDLIATLZTNTC-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: 1,2,3,4,5-pentafluoro-6-({[(pentafluorophenyl)sulfanyl]cuprio}sulfanyl)benzene
• IUPAC传统名: 1,2,3,4,5-pentafluoro-6-({[(pentafluorophenyl)sulfanyl]cuprio}sulfanyl)benzene
• 别名: Pentafluorobenzenethiol copper(II) salt (2:1); Bis(pentafluorophenylthio) copper(II) salt

登记号

• CAS号: 18504-19-3
• PubChem SID: 162085539
• PubChem CID: 45933752

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.5628
• LogD (pH = 7.4): 5.5628
• Log P: 5.5628
• 摩尔折射率: 64.6242 cm^3
• 极化性: 27.945045 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: none°C

安全信息

• 保存注意事项: Toxic/Harmful