2-(methanesulfonylsulfanyl)ethan-1-amine hydrobromide

• ChemBase编号: 74357
• 分子式: C3H10BrNO2S2
• 平均质量: 236.151
• 单一同位素质量: 234.93363257
• SMILES: NCCSS(=O)(=O)C.Br
• Canonical SMILES: NCCSS(=O)(=O)C.Br
• InChI: InChI=1S/C3H9NO2S2.BrH/c1-8(5,6)7-3-2-4;/h2-4H2,1H3;1H
• InChIKey: DMVGEUBCWCKGMY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(methanesulfonylsulfanyl)ethan-1-amine hydrobromide
• IUPAC传统名: 2-(methanesulfonylsulfanyl)ethanamine hydrobromide
• 别名: Methanesulfonothioic Acid S-(2-Aminoethyl) Ester Hydrobromide; 2-Aminoethyl Methanethiosulfonate Hydrobromide; MTSEA-BROMIDE; 2-Aminoethyl methanethiosulphonate hydrobromide

登记号

• CAS号: 16599-33-0
• MDL号: MFCD00269887
• PubChem SID: 162039276
• PubChem CID: 24186135

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.093197
• LogD (pH = 7.4): -3.0959415
• Log P: -1.113154
• 摩尔折射率: 35.5729 cm^3
• 极化性: 15.13747 Å^3
• 极化表面积: 60.16 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Ethanol; Methanol; Water
• 外观: Pale Beige Solid
• 熔点: 108-109°C

安全信息

• 保存条件: Refrigerator
• 保存注意事项: Irritant

详细说明

Apollo Scientific Ltd - OR0910T

Reacts specifically and rapidly with thiols to form mixed disulfides. Used for probing the structures of a number of receptor and ion channel proteins.

Toronto Research Chemicals - A609100

Reacts specifically and rapidly with thiols to form mixed disulfides. Used to probe the structures of the ACh receptor channel of the GABA receptor channel and of lactose permease. Useful for mapping the pore-lining regions of the ryanodine receptor.

参考文献

• Yang, N. et al.: Neuron, 16, 113 (1996)
• Kuner, T. et al.: Neuron, 17, 343 (1996)
• Holmgren, M. et al: Neuropharmacology, 35, 797 (1996) Chahine, M. et al.: Biochemical & Biophysical Res. Commun., 233, 606 (1996)
• Ehrlich, B.E., et al.: J. Gen. Physiol.,