(methanesulfonylsulfanyl)(13C)methane

• ChemBase编号: 136418
• 分子式: C2H6O2S2
• 平均质量: 127.19049484
• 单一同位素质量: 126.98427627
• SMILES: CS(=O)(=O)S[13CH3]
• Canonical SMILES: [13CH3]SS(=O)(=O)C
• InChI: InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3/i1+1
• InChIKey: XYONNSVDNIRXKZ-OUBTZVSYSA-N

名称和登记号

名称

• IUPAC标准名: (methanesulfonylsulfanyl)(^1^3C)methane
• IUPAC传统名: (methanesulfonylsulfanyl)(^1^3C)methane
• 别名: S-Methyl-13C thiomethanesulfonate; MMTS-13C; S-Methyl-13C methanethiosulfonate; Methanesulfonothioic Acid S-Methyl Ester-13C; Thiomethanesulfonic Acid S-Methyl Ester-13C; NSC 21545-13C; S-Methyl Methanesulfonothioate-13C; S-Methyl Methanethiosulfonate-13C; Methyl Methanethiosulfonate-13C

登记号

• CAS号: 1309943-60-9
• MDL号: MFCD19687034
• PubChem SID: 162230688
• PubChem CID: 71309795

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -0.061644528
• LogD (pH = 7.4): -0.061644528
• Log P: -0.061644528
• 摩尔折射率: 27.5405 cm^3
• 极化性: 11.784489 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: Pale Yellow Oil
• 沸点: 69-71 °C/0.4 mmHg(lit.)
• 闪点: 188.6 °F; 87 °C
• 密度: 1.347 g/mL at 25 °C
• 质量偏移: M+1

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2
• 危险公开号: 36
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H319
• GHS警示性声明: P305 + P351 + P338

产品相关信息

• 纯度: 97% (CP)
• 同位素纯度: 97 atom % 13C
• Mol. Weight: mol wt 127.18 by atom % calculation
• 线性分子式: CH3SO2S13CH3

详细说明

Sigma Aldrich - 723401

包装
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Toronto Research Chemicals - M321502

Labelled Methyl Methanethiosulfonate (M321500). Used for the rapid and selective modification of sulfhydryl groups of enzymes. Useful for mapping the pore-lining regions of the ryanodine receptor.

参考文献

• Stauffer, D.A., and Karlin, A.: Biochemistry, 33, 6840 (1994)
• Yang, N. et al.: Neuron, 16, 113 (1994)
• Kuner, T. et al.: Neuron, 17, 343 (1994)
• Ehrlich, B.E., et al.: J. Gen. Physiol., 109, 255 (1994)
• Dunten, R.L., et al.: Biochemistry, 32, 3139-3145