[3-(methanesulfonylsulfanyl)propyl]tripentylazanium bromide

• ChemBase编号: 179272
• 分子式: C19H42BrNO2S2
• 平均质量: 460.57628
• 单一同位素质量: 459.18403359
• SMILES: CCCCC[N+](CCCCC)(CCCCC)CCCSS(=O)(=O)C.[Br-]
• Canonical SMILES: CCCCC[N+](CCCCC)(CCCCC)CCCSS(=O)(=O)C.[Br-]
• InChI: InChI=1S/C19H42NO2S2.BrH/c1-5-8-11-15-20(16-12-9-6-2,17-13-10-7-3)18-14-19-23-24(4,21)22;/h5-19H2,1-4H3;1H/q+1;/p-1
• InChIKey: NBCFZEUXNYXRCG-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: [3-(methanesulfonylsulfanyl)propyl]tripentylazanium bromide
• IUPAC传统名: [3-(methanesulfonylsulfanyl)propyl]tripentylazanium bromide
• 别名: MTS-TPAP; 3-(Tripentylammonium)propyl Methanethiosulfonate Bromide

登记号

• PubChem SID: 164235182
• PubChem CID: 71752846

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.1342019
• LogD (pH = 7.4): 1.1342019
• Log P: 1.1342019
• 摩尔折射率: 121.7346 cm^3
• 极化性: 44.494522 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 17
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol; Water

详细说明

Toronto Research Chemicals - T808510

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