triethyl[2-(methanesulfonylsulfanyl)ethyl]azanium bromide

• ChemBase编号: 178989
• 分子式: C9H22BrNO2S2
• 平均质量: 320.31048
• 单一同位素质量: 319.02753295
• SMILES: [N+](CC)(CCSS(=O)(=O)C)(CC)CC.[Br-]
• Canonical SMILES: CC[N+](CCSS(=O)(=O)C)(CC)CC.[Br-]
• InChI: InChI=1S/C9H22NO2S2.BrH/c1-5-10(6-2,7-3)8-9-13-14(4,11)12;/h5-9H2,1-4H3;1H/q+1;/p-1
• InChIKey: AHXYKRGAOHLVBF-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: triethyl[2-(methanesulfonylsulfanyl)ethyl]azanium bromide
• IUPAC传统名: triethyl[2-(methanesulfonylsulfanyl)ethyl]azanium bromide
• 别名: MTS-TEAE; 2-(Triethylammonium)ethyl Methanethiosulfonate Bromide

登记号

• PubChem SID: 164234899
• PubChem CID: 71752722

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -3.3894384
• LogD (pH = 7.4): -3.3894384
• Log P: -3.3894384
• 摩尔折射率: 75.8016 cm^3
• 极化性: 26.083775 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol; Water
• 外观: Off-White Solid
• 熔点: 126-127°C

安全信息

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

详细说明

Toronto Research Chemicals - T775800

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