potassium acetylsulfanide

• ChemBase编号: 90363
• 分子式: C2H3KOS
• 平均质量: 114.20792
• 单一同位素质量: 113.9541674
• SMILES: O=C(C)[S-].[K+]
• Canonical SMILES: [S-]C(=O)C.[K+]
• InChI: InChI=1S/C2H4OS.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
• InChIKey: AFNBMGLGYSGFEZ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: potassium acetylsulfanide
• IUPAC传统名: potassium ion thioacetate; potassium thioacetate
• 别名: 乙硫羟酸 钾盐; 硫代乙酸 钾盐; 硫代醋酸 钾盐; 硫代乙酸钾; potassium acetylsulfanide; Thioacetic acid potassium salt; Ethanethioic acid potassium salt; POTASSIUM THIOACETATE; Potassium thioacetate; Potassium ethanethioate; Thiolacetic acid potassium salt; Potassium thioacetate; MeCOSK; Potassium Ethanethioate; Potassium Thioethanoate; Potassium Thiolacetate; S-Potassium Thioacetate

登记号

• CAS号: 10387-40-3
• EC号: 233-848-7
• MDL号: MFCD00137704; MFCD00083065
• Beilstein号: 4428862; 3595448
• PubChem SID: 162077178; 24854328
• PubChem CID: 4463282

理论计算性质

• Acid pKa: 0.6245457
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -0.8527387
• LogD (pH = 7.4): -0.8528124
• Log P: 0.29016864
• 摩尔折射率: 19.7997 cm^3
• 极化性: 7.9425406 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol; Water
• 外观: White Solid
• 熔点: >235°C (dec.); 173-176 °C(lit.); 173-176°C; 240°C; ca 240°C dec.
• 疏水性(logP): 0.06

安全信息

• 保存条件: 0°C, Desiccate, Store Under Nitrogen; Refrigerator
• 保存注意事项: Air Sensitive & Hygroscopic; Irritant/Stench/Hygroscopic/Air Sensitive/Store under Argon
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 2811; UN3335
• 德国WGK号: 3
• 联合国危险货物等级: 6.1; 9
• 联合国危险货物包装类别(PG): III
• 澳大利亚Hazchem: 2X
• 危险公开号: 36/37/38; R:36/37/38
• 安全公开号: 26-36; 26-37; S:20-25-26-37/39
• 欧盟危险货物分类: T2
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 154
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98%; 95%; 98%
• 线性分子式: CH3COSK

详细说明

MP Biomedicals - 02102712

Purity: 98+%
Reagent used in preparation of thiols from halides

Sigma Aldrich - 241776

Application
与芳基卤化物和芳基三氟甲磺酸酯发生钯介导的偶联反应，生成 S-芳基硫代乙酸酯及衍生物。1
用于由卤化物制备硫醇的试剂。
包装
25, 100 g in glass bottle

Toronto Research Chemicals - P698500

Potassium Thioacetate is the potassium salt of Thioacetic Acid, a commonly used reagent in organic synthesis for the introduction of thiol groups in molecules.

参考文献

• Chapman, J.H. et al.: J. Chem. Soc., 579 (1950)
• Reagent for the conversion of halides and sulfonates to thiols via the thiol acetates, thus avoiding the problem of sulfide formation: J. Chem. Soc., 579 (1950).