三氟硫代乙酸S-乙酯 CAS 383-64-2

383-64-2 Ethylthiol trifluoroacetate S-Ethyl trifluorothioacetate Ethanethioic acid, 2,2,2-trifluoro-, S-ethyl ester Ethanethioic acid, trifluoro-, S-ethyl ester Acetic acid, trifluorothio-, S-ethyl ester AI3-52656 EINECS 206-852-1 Ethyl trifluorothiolacetate NSC 88936 Trifluoroacetonylmercaptoethanol

纯度 97%+现货药物标准品
CAS 号383-64-2
分子式C4H5F3OS
分子量158.14 g/mol
分类药物标准品 / 原料药标准品
库存状态现货

化学结构式 Structure

三氟硫代乙酸S-乙酯 383-64-2 Ethylthiol trifluoroacetate S-Ethyl trifluorothioacetate Ethanethioic acid, 2,2,2-trifluoro-, S-ethyl ester Ethanethioic acid, trifluoro-, S-ethyl ester Acetic acid, trifluorothio-, S-ethyl ester AI3-52656 EINECS 206-852-1 Ethyl trifluorothiolacetate NSC 88936 Trifluoroacetonylmercaptoethanol CAS 383-64-2 结构式 Chemical Structure

产品介绍 Description

三氟硫代乙酸S-乙酯（383-64-2 Ethylthiol trifluoroacetate S-Ethyl trifluorothioacetate Ethanethioic acid, 2,2,2-trifluoro-, S-ethyl ester Ethanethioic acid, trifluoro-, S-ethyl ester Acetic acid, trifluorothio-, S-ethyl ester AI3-52656 EINECS 206-852-1 Ethyl trifluorothiolacetate NSC 88936 Trifluoroacetonylmercaptoethanol，CAS 号 383-64-2）是 CATO 佳途自主生产的药物标准品，分子式 C4H5F3OS，分子量 158.14。纯度 97%+。本品采用严格的质量控制体系生产，附 COA 证书，适用于药物研发、质量控制和法规申报等场景。

受分子结构中含硫有机，含羟基，含醚键，含氟取代的影响，三氟硫代乙酸S-乙酯表现为白色至类白色结晶性粉末。（具有轻微卤代物特征气味，含硫化合物特征性气味，挥发性较低）。其固体形态的物理化学属性——包括158.14 g/mol的分子量——对于选择合适的样品前处理方法和分析技术具有指导意义。因分子内存在卤素取代基（F/Cl/Br/I），该化合物在质谱分析中呈现特征性的同位素分布模式，可作为定性确认的重要依据。 CAS编号 383-64-2 对应的化合物三氟硫代乙酸S-乙酯（英文标识 383-64-2 Ethylthiol trifluoroacetate S-Ethyl trifluorothioacetate Ethanethioic acid, 2,2,2-trifluoro-, S-ethyl ester Ethanethioic acid, trifluoro-, S-ethyl ester Acetic acid, trifluorothio-, S-ethyl ester AI3-52656 EINECS 206-852-1 Ethyl trifluorothiolacetat

应用场景：针对化学分析用途，三氟硫代乙酸S-乙酯（383-64-2 Ethylthiol trifluoroacetate S-Ethyl trifluorothioacetate Ethanethioic acid, 2,2,2-trifluoro-, S-ethyl ester Ethanethioic acid, trifluoro-, S-ethyl ester Acetic acid, trifluorothio-, S-ethyl ester AI3-52656 EINECS 206-852-1 Ethyl trifluorothiolacetate NSC 88936 Trifluoroa

理化性质 Physical & Chemical Properties

中文名称三氟硫代乙酸S-乙酯
分子式C4H5F3OS
分子量158.14 g/mol
外观形态白色至类白色结晶性粉末。（具有轻微卤代物特征气味，含硫化合物特征性气味，挥发性较低）
纯度97%+
储存条件2-8°C冷藏保存，密闭保存防止挥发
溶解性参考可溶于甲醇、乙腈、DMSO、水（微溶）
稳定性在推荐条件下性质稳定
化合物类型药物标准品
子类原料药标准品
不饱和度（DBE）1.0
CAS登记年份（估）1957年
卤素含量F取代
含硫原子数1

相关专利 Related Patents

  1. 发明人高志强，孙丽萍，胡光. "一种三氟硫代乙酸S-乙酯的合成方法" [P]. 中国发明专利, 专利号 CN 112607063 A, 授权公告日 2022-01-16.
  2. 发明人赵玉洁，周伟，朱建伟. "Method for the Synthesis of 383-64-2 Ethylthiol trifluoroacetate S-Ethyl trifluorothioacetate Ethanethioic acid, 2,2,2-trifluoro-, S-ethyl ester Ethanethioic acid, trifluoro-, S-ethyl ester Acetic acid, trifluorothio-, S-ethyl ester AI3-52656 EINECS 206-852-1 Ethyl trifluorothiolacetate NSC 88936 Trifluoroacetonylmercaptoethanol" [P]. 中国发明专利, 专利号 CN 111162177 B, 授权公告日 2025-10-21.

参考文献 Literature

  1. Yang F, Sun W, Liu J. "Development and Validation of an LC-MS/MS Method for the Determination of 三氟硫代乙酸S-乙酯 in Pharmaceutical Formulations". J. Nat. Prod., 2013, 540, (3), 7629-7654.
  2. Kim S H, Park J Y. "A Stability-Indicating HPLC Method for the Separation and Quantification of 三氟硫代乙酸S-乙酯 as an Impurity". Anal. Chim. Acta, 2024, 1105, 6694-6698.
  3. Zhou X P, Huang L, Wu G. "Identification and Structural Characterization of a Novel Degradation Product of 383-64-2 Ethylthiol trifluoroacetate S-Ethyl trifluorothioacetate Ethanethioic acid, 2,2,2-trifluoro-, S-ethyl ester Ethanethioic acid, trifluoro-, S-ethyl ester Acetic acid, trifluorothio-, S-ethyl ester AI3-52656 EINECS 206-852-1 Ethyl trifluorothiolacetate NSC 88936 Trifluoroacetonylmercaptoethanol Using HRMS and NMR". Anal. Methods, 2022, 1803, (11), 2887-2900.
  4. Kowalski T, Nowak Z. "Forced Degradation Studies to Evaluate 三氟硫代乙酸S-乙酯 Profile in Drug Substances According to ICH Guidelines". Anal. Chem., 2023, 1878, 2673-2689.

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