2-(2-{2-[(11-sulfanylundecyl)oxy]ethoxy}ethoxy)ethan-1-ol

• ChemBase编号: 141090
• 分子式: C17H36O4S
• 平均质量: 336.53034
• 单一同位素质量: 336.23343063
• SMILES: C(CCCCCOCCOCCOCCO)CCCCCS
• Canonical SMILES: OCCOCCOCCOCCCCCCCCCCCS
• InChI: InChI=1S/C17H36O4S/c18-10-12-20-14-16-21-15-13-19-11-8-6-4-2-1-3-5-7-9-17-22/h18,22H,1-17H2
• InChIKey: FASSFROSROBIBE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-{2-[(11-sulfanylundecyl)oxy]ethoxy}ethoxy)ethan-1-ol
• IUPAC传统名: 2-(2-{2-[(11-sulfanylundecyl)oxy]ethoxy}ethoxy)ethanol
• 别名: (11-巯基十一烷基)三(乙二醇); 三乙二醇单-11-巯基十一烷基醚; 3,6,9-Trioxa-19-mercapto-nonadecan-1-ol; 2-[2-[2-(11-Mercaptoundecyloxy)ethoxy]ethoxy]ethanol; 1-(9-Mercaptononyl)-3,6,9-trioxaundecan-11-ol; (11-Mercaptoundecyl)tri(ethylene glycol); Triethylene glycol mono-11-mercaptoundecyl ether

登记号

• CAS号: 130727-41-2
• MDL号: MFCD08457662
• PubChem SID: 24885143; 162235325
• PubChem CID: 4592043

理论计算性质

• Acid pKa: 10.200819
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 3.5910587
• LogD (pH = 7.4): 3.5904298
• Log P: 3.5910668
• 摩尔折射率: 95.4297 cm^3
• 极化性: 37.793034 Å^3
• 极化表面积: 47.92 Å^2
• 可自由旋转的化学键: 19
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Ether; Ethyl Acetate; Methanol; Water
• 外观: Colourless Oil
• 闪点: >110 °C; >230 °F
• 密度: 0.995 g/mL at 25 °C
• 折射率: n20/D 1.476

安全信息

• 保存条件: Refrigerator, Under Inert Atmosphere
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves
• 保存温度: -20°C

产品相关信息

• 纯度: 95%
• 线性分子式: HS(CH2)11(OCH2CH2)3OH

详细说明

Sigma Aldrich - 673110

Application
用于通过亚磺酰溴高效合成 ω-官能化不对称二硫化物。1
包装
250 mg in glass bottle

Toronto Research Chemicals - M254325

Long chain alkanethiol suitable for self-assembly from solution onto gold surfaces. The control of surface functionality using these self-assembled monolayers (SAMs) makes the exploration of such interactions as protein recognition possible.

参考文献

• For examples see G.M. Whitesides et al.: J. Am. Chem. Soc., 1991, 113, 12-20 ; 1998, 120,6548-6555 and Anal. Chem. 1999, 71, 777-790