tributyl[6-(methanesulfonylsulfanyl)hexyl]azanium bromide

• ChemBase编号: 178922
• 分子式: C19H42BrNO2S2
• 平均质量: 460.57628
• 单一同位素质量: 459.18403359
• SMILES: C([N+](CCCC)(CCCCCCSS(=O)(=O)C)CCCC)CCC.[Br-]
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCCCCSS(=O)(=O)C.[Br-]
• InChI: InChI=1S/C19H42NO2S2.BrH/c1-5-8-15-20(16-9-6-2,17-10-7-3)18-13-11-12-14-19-23-24(4,21)22;/h5-19H2,1-4H3;1H/q+1;/p-1
• InChIKey: RLLBUWIRFXOKQI-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: tributyl[6-(methanesulfonylsulfanyl)hexyl]azanium bromide
• IUPAC传统名: tributyl[6-(methanesulfonylsulfanyl)hexyl]azanium bromide
• 别名: MTS-TBAH; 6-(Tributylammonium)hexyl Methanethiosulfonate Bromide

登记号

• PubChem SID: 164234832
• PubChem CID: 71752694

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.206996
• LogD (pH = 7.4): 1.206996
• Log P: 1.206996
• 摩尔折射率: 121.7782 cm^3
• 极化性: 44.49447 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 17
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol; Water
• 外观: White Crystalline Solid

详细说明

Toronto Research Chemicals - T773310

A water soluble, bulkier analogue of the charged MTS reagent MTSET. Charged MTS reagents have been used successfully with SCAM (substituted cysteine accessibility method) to probe the topology and function of a number of ligand-gated ion channels and tra