1-(methanesulfonylsulfanyl)propane

• ChemBase编号: 177053
• 分子式: C4H10O2S2
• 平均质量: 154.251
• 单一同位素质量: 154.01222156
• SMILES: S(=O)(=O)(SCCC)C
• Canonical SMILES: CCCSS(=O)(=O)C
• InChI: InChI=1S/C4H10O2S2/c1-3-4-7-8(2,5)6/h3-4H2,1-2H3
• InChIKey: NTHJPLSCKRFMSP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(methanesulfonylsulfanyl)propane
• IUPAC传统名: 1-(methanesulfonylsulfanyl)propane
• 别名: PMTS; Methanesulfonothioic Acid S-Propyl Ester; Propyl Methanethiosulfonate

登记号

• CAS号: 24387-69-7
• PubChem SID: 164232963
• PubChem CID: 529387

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.7918616
• LogD (pH = 7.4): 0.7918616
• Log P: 0.7918616
• 摩尔折射率: 36.7853 cm^3
• 极化性: 15.435998 Å^3
• 极化表面积: 34.14 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: Chloroform; DMSO
• 外观: Clear Colourless Oil
• 沸点: 85°C/0.5 mm

安全信息

• 保存条件: Refrigerator
• 保存注意事项: Water Sensitive

详细说明

Toronto Research Chemicals - P838250

Reacts specifically and rapidly with thiols to form mixed disulfides. PMTS covalently binds to cystein residues introduced into a specific second transmembrane site in the glycine receptor and g-aminobutyric acid type A receptor subunits and irreversibly

参考文献

• Xu, M. & Akabus, M.H.: J. Biol. Chem., 268, 21505 (1993)
• 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)
• Mascia, M.P., et al.: PNAS, 97, 16, 9305 (2000)