[6-(methanesulfonylsulfanyl)hexyl]trimethylazanium bromide

• ChemBase编号: 179210
• 分子式: C10H24BrNO2S2
• 平均质量: 334.33706
• 单一同位素质量: 333.04318301
• SMILES: [N+](CCCCCCSS(=O)(=O)C)(C)(C)C.[Br-]
• Canonical SMILES: CS(=O)(=O)SCCCCCC[N+](C)(C)C.[Br-]
• InChI: InChI=1S/C10H24NO2S2.BrH/c1-11(2,3)9-7-5-6-8-10-14-15(4,12)13;/h5-10H2,1-4H3;1H/q+1;/p-1
• InChIKey: ZDCGBEOAIWDJBP-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: [6-(methanesulfonylsulfanyl)hexyl]trimethylazanium bromide
• IUPAC传统名: [6-(methanesulfonylsulfanyl)hexyl]trimethylazanium bromide
• 别名: MTSHT; [6-(Trimethylammonium)hexyl] Methanethiosulfonate Bromide; N,N,N-Trimethyl-6-[(methylsulfonyl)thio]-1-hexanaminium

登记号

• CAS号: 1041424-77-4
• PubChem SID: 164235120
• PubChem CID: 71752824

理论计算性质

• 质子供体: 0
• LogD (pH = 5.5): -2.7647011
• LogD (pH = 7.4): -2.7647011
• Log P: -2.7647011
• 摩尔折射率: 80.1574 cm^3
• 极化性: 27.920626 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true
• 质子受体: 2

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: White Semi-Solid

安全信息

• 保存条件: -20°C Freezer
• 保存注意事项: Moisture Sensitive

详细说明

Toronto Research Chemicals - T795907

Reacts specifically and rapidly with thiols to form mixed disulfides. Used to probe the structures of the ACh receptor channel of the GABAA receptor channel and of lactose permease.

参考文献

• Duhten, R.L., et al.: Biochemistry, 32, 3139 (1993)
• Yang, N. et al.: Neuron, 16, 113 (1993)
• Kuner, T. et al.: Neuron, 17, 343 (1993)
• Holmgren, M. et al: Neuropharmacology, 35, 797 (1993)
• Chahine, M. et al.: Biochemical & Biophysical Res. Commun., 233