[2-(methanesulfonylsulfanyl)ethyl]tripentylazanium bromide

• ChemBase编号: 179269
• 分子式: C18H40BrNO2S2
• 平均质量: 446.5497
• 单一同位素质量: 445.16838353
• SMILES: [Br-].C(CCC[N+](CCSS(=O)(=O)C)(CCCCC)CCCCC)C
• Canonical SMILES: CCCCC[N+](CCSS(=O)(=O)C)(CCCCC)CCCCC.[Br-]
• InChI: InChI=1S/C18H40NO2S2.BrH/c1-5-8-11-14-19(15-12-9-6-2,16-13-10-7-3)17-18-22-23(4,20)21;/h5-18H2,1-4H3;1H/q+1;/p-1
• InChIKey: ASEVYJQNYULFTP-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: [2-(methanesulfonylsulfanyl)ethyl]tripentylazanium bromide
• IUPAC传统名: [2-(methanesulfonylsulfanyl)ethyl]tripentylazanium bromide
• 别名: MTS-TPAE; 2-(Tripentylammonium)ethyl Methanethiosulfonate Bromide, Technical Grade, >65%

登记号

• PubChem SID: 164235179
• PubChem CID: 45040647

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.8455407
• LogD (pH = 7.4): 0.8455407
• Log P: 0.8455407
• 摩尔折射率: 116.9796 cm^3
• 极化性: 42.652554 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: true

分子性质

理化性质

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

安全信息

• 保存条件: Refrigerator, Under Inert Atmosphere
• 保存注意事项: Temperature and Moisture Sensitive

详细说明

Toronto Research Chemicals - T808450

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