tributyl[8-(methanesulfonylsulfanyl)octyl]azanium bromide

• ChemBase编号: 178924
• 分子式: C21H46BrNO2S2
• 平均质量: 488.62944
• 单一同位素质量: 487.21533372
• SMILES: C(CC[N+](CCCCCCCCSS(=O)(=O)C)(CCCC)CCCC)C.[Br-]
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCCCCCCSS(=O)(=O)C.[Br-]
• InChI: InChI=1S/C21H46NO2S2.BrH/c1-5-8-17-22(18-9-6-2,19-10-7-3)20-15-13-11-12-14-16-21-25-26(4,23)24;/h5-21H2,1-4H3;1H/q+1;/p-1
• InChIKey: LCJYIDRJFWBIJF-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: tributyl[8-(methanesulfonylsulfanyl)octyl]azanium bromide
• IUPAC传统名: tributyl[8-(methanesulfonylsulfanyl)octyl]azanium bromide
• 别名: MTS-TBAO; 8-(Tributylammonium)octyl Methanethiosulfonate Bromide

登记号

• PubChem SID: 164234834
• PubChem CID: 71752696

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.0961332
• LogD (pH = 7.4): 2.0961332
• Log P: 2.0961332
• 摩尔折射率: 130.9802 cm^3
• 极化性: 48.18181 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 19
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; DMSO; Methanol
• 外观: Yellow Oil

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - T773340

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