triethyl[6-(methanesulfonylsulfanyl)hexyl]azanium bromide

• ChemBase编号: 178991
• 分子式: C13H30BrNO2S2
• 平均质量: 376.4168
• 单一同位素质量: 375.09013321
• SMILES: C(CCCCCSS(=O)(=O)C)[N+](CC)(CC)CC.[Br-]
• Canonical SMILES: CC[N+](CCCCCCSS(=O)(=O)C)(CC)CC.[Br-]
• InChI: InChI=1S/C13H30NO2S2.BrH/c1-5-14(6-2,7-3)12-10-8-9-11-13-17-18(4,15)16;/h5-13H2,1-4H3;1H/q+1;/p-1
• InChIKey: NMTKONNSRKDPBO-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: triethyl[6-(methanesulfonylsulfanyl)hexyl]azanium bromide
• IUPAC传统名: triethyl[6-(methanesulfonylsulfanyl)hexyl]azanium bromide
• 别名: N,N,N-Triethyl-6-[(methylsulfonyl)thio]-1-hexanaminiumbromide Bromide; MTS-TEAH; 6-(Triethylammonium)hexyl Methanethiosulfonate Bromide

登记号

• CAS号: 386229-78-3
• PubChem SID: 164234901
• PubChem CID: 46783166

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -1.6942773
• LogD (pH = 7.4): -1.6942773
• Log P: -1.6942773
• 摩尔折射率: 94.4032 cm^3
• 极化性: 33.440376 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 11
• 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 Semi-Solid/Oil

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - T776000

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