[3-(methanesulfonylsulfanyl)propyl]trimethylazanium bromide

• ChemBase编号: 179215
• 分子式: C7H18BrNO2S2
• 平均质量: 292.25732
• 单一同位素质量: 290.99623282
• SMILES: C[N+](C)(C)CCCSS(=O)(=O)C.[Br-]
• Canonical SMILES: C[N+](CCCSS(=O)(=O)C)(C)C.[Br-]
• InChI: InChI=1S/C7H18NO2S2.BrH/c1-8(2,3)6-5-7-11-12(4,9)10;/h5-7H2,1-4H3;1H/q+1;/p-1
• InChIKey: WJPFIZQKYFWENL-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: [3-(methanesulfonylsulfanyl)propyl]trimethylazanium bromide
• IUPAC传统名: [3-(methanesulfonylsulfanyl)propyl]trimethylazanium bromide
• 别名: N,N,N-Trimethyl-3-[(methylsulfonyl)thio]-1-propanaminium Bromide; MTSPT; [3-(Trimethylammonium)propyl] Methanethiosulfonate Bromide

登记号

• CAS号: 220560-60-1
• PubChem SID: 164235125
• PubChem CID: 46783194

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -4.171201
• LogD (pH = 7.4): -4.171201
• Log P: -4.171201
• 摩尔折射率: 66.3108 cm^3
• 极化性: 22.40985 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol; Water
• 外观: White to Off-White Solid
• 熔点: 95-99°C

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• 保存注意事项: Moisture Sensitive: Very hygroscopic

详细说明

Toronto Research Chemicals - T795950

Reacts specifically and rapidly with thiols to form mixed disulfides.

参考文献

• Duhten, R.L., et al.: Biochemistry, 32, 3139 (1993)
• Yang, N. et al.: Neuron, 16, 113 (1993)
• Kuner, T. et al.: Neuron, 17, 343 (1993)
• Holmgren, M. et al: Neuropharmacology, 35, 797 (1993)
• Chahine, M. et al.: Biochemical & Biophysical Res. Commun., 233