tributyl(3-isothiocyanatophenyl)stannane

• ChemBase编号: 178933
• 分子式: C19H31NSSn
• 平均质量: 424.22214
• 单一同位素质量: 425.119915
• SMILES: c1(cccc(c1)[Sn](CCCC)(CCCC)CCCC)N=C=S
• Canonical SMILES: CCCC[Sn](c1cccc(c1)N=C=S)(CCCC)CCCC
• InChI: InChI=1S/C7H4NS.3C4H9.Sn/c9-6-8-7-4-2-1-3-5-7;3*1-3-4-2;/h1-2,4-5H;3*1,3-4H2,2H3
• InChIKey: XHRHSJMUFRQMFD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tributyl(3-isothiocyanatophenyl)stannane
• IUPAC传统名: tributyl(3-isothiocyanatophenyl)stannane
• 别名: Tributyl(3-isothiocyanatophenyl)stannane; 3-Tri-N-butylstannyl-phenylisothiocyanate

登记号

• CAS号: 145190-98-3
• PubChem SID: 164234843
• PubChem CID: 45040599

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.3794985
• LogD (pH = 7.4): 6.3795
• Log P: 6.3795
• 摩尔折射率: 100.9529 cm^3
• 极化性: 43.40631 Å^3
• 极化表面积: 12.36 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Hexane
• 外观: Pale Yellow Oil

详细说明

Toronto Research Chemicals - T773950

A compound used potentially for the radioiodination of monoclonal antibodies. Used in Antibody labelling.

参考文献

• Ram, S. and Buchsbaum, D.J.: Appl. Radiat. Isot., 43, 11, 1387 (1992)
• Ram, S. and Buchsbaum, D.J.: Cancer Suppl., 73, 3, 808 (1992)