trihexyl[6-(methanesulfonylsulfanyl)hexyl]azanium bromide

• ChemBase编号: 179126
• 分子式: C25H54BrNO2S2
• 平均质量: 544.73576
• 单一同位素质量: 543.27793397
• SMILES: [N+](CCCCCC)(CCCCCC)(CCCCCC)CCCCCCSS(=O)(=O)C.[Br-]
• Canonical SMILES: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCSS(=O)(=O)C.[Br-]
• InChI: InChI=1S/C25H54NO2S2.BrH/c1-5-8-11-16-21-26(22-17-12-9-6-2,23-18-13-10-7-3)24-19-14-15-20-25-29-30(4,27)28;/h5-25H2,1-4H3;1H/q+1;/p-1
• InChIKey: IEZFPGPVRXFYNP-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: trihexyl[6-(methanesulfonylsulfanyl)hexyl]azanium bromide
• IUPAC传统名: trihexyl[6-(methanesulfonylsulfanyl)hexyl]azanium bromide
• 别名: MTS-THAH; 6-(Trihexylammonium)hexyl Methanethiosulfonate Bromide

登记号

• PubChem SID: 164235036
• PubChem CID: 57369205

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.874408
• LogD (pH = 7.4): 3.874408
• Log P: 3.874408
• 摩尔折射率: 149.3842 cm^3
• 极化性: 55.558994 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 23
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO; Methanol; Water
• 外观: White Crystalline Solid

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - T794580

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