2-(methanesulfonylsulfanyl)ethyl N-[2-(dimethylamino)ethyl]carbamate hydrochloride

• ChemBase编号: 172599
• 分子式: C8H19ClN2O4S2
• 平均质量: 306.83046
• 单一同位素质量: 306.04747678
• SMILES: C(CNC(=O)OCCSS(=O)(=O)C)N(C)C.Cl
• Canonical SMILES: CN(CCNC(=O)OCCSS(=O)(=O)C)C.Cl
• InChI: InChI=1S/C8H18N2O4S2.ClH/c1-10(2)5-4-9-8(11)14-6-7-15-16(3,12)13;/h4-7H2,1-3H3,(H,9,11);1H
• InChIKey: ASASFNRFBAGWBY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(methanesulfonylsulfanyl)ethyl N-[2-(dimethylamino)ethyl]carbamate hydrochloride
• IUPAC传统名: 2-(methanesulfonylsulfanyl)ethyl N-[2-(dimethylamino)ethyl]carbamate hydrochloride
• 别名: Methanesulfonothioic Acid 2-[[[[2-(Dimethylamino)ethyl]amino]carbonyl]oxy]ethyl Ester Hydrochloride; MTS-AC; O-2-(Methanethiosulfonate)ethyl-N-(N,N-dimethylaminoethyl)carbamate Hydrochloride

登记号

• CAS号: 187592-54-7
• PubChem SID: 164228509
• PubChem CID: 46782139

理论计算性质

• Acid pKa: 14.490122
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -3.5418344
• LogD (pH = 7.4): -1.792747
• Log P: -0.6563718
• 摩尔折射率: 64.6594 cm^3
• 极化性: 26.303171 Å^3
• 极化表面积: 75.71 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - M258850

MTS-AC-treated channels showed a pattern of steps in the single channel current recordings on the time scale of the carbamate bond isomerization. The pattern and the size of these steps was sensitive to the location of the thiol-reactive site in relatio

参考文献

• Foong, L.Y., et al.: Biochemistry, 36, 1343 (1997)