trihexyl[8-(methanesulfonylsulfanyl)octyl]azanium bromide

• ChemBase编号: 179127
• 分子式: C27H58BrNO2S2
• 平均质量: 572.78892
• 单一同位素质量: 571.3092341
• SMILES: C(CCC[N+](CCCCCCCCSS(=O)(=O)C)(CCCCCC)CCCCCC)CC.[Br-]
• Canonical SMILES: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCCCSS(=O)(=O)C.[Br-]
• InChI: InChI=1S/C27H58NO2S2.BrH/c1-5-8-11-18-23-28(24-19-12-9-6-2,25-20-13-10-7-3)26-21-16-14-15-17-22-27-31-32(4,29)30;/h5-27H2,1-4H3;1H/q+1;/p-1
• InChIKey: SLXPFRJVRBWTTL-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: trihexyl[8-(methanesulfonylsulfanyl)octyl]azanium bromide
• IUPAC传统名: trihexyl[8-(methanesulfonylsulfanyl)octyl]azanium bromide
• 别名: MTS-THAO; 8-(Trihexylammonium)octyl Methanethiosulfonate Bromide

登记号

• PubChem SID: 164235037
• PubChem CID: 71752780

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.763545
• LogD (pH = 7.4): 4.763545
• Log P: 4.763545
• 摩尔折射率: 158.5862 cm^3
• 极化性: 59.248547 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 25
• 里宾斯基五规则: false

分子性质

理化性质

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

安全信息

• 保存注意事项: Hygroscopic! Moisture And Temperature Sensitive!

详细说明

Toronto Research Chemicals - T794610

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