potassium (ethoxymethanethioyl)sulfanide

• ChemBase编号: 129063
• 分子式: C3H5KOS2
• 平均质量: 160.2995
• 单一同位素质量: 159.94188846
• SMILES: [K+].[S-]C(=S)OCC
• Canonical SMILES: [S-]C(=S)OCC.[K+]
• InChI: InChI=1S/C3H6OS2.K/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
• InChIKey: JCBJVAJGLKENNC-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: potassium (ethoxymethanethioyl)sulfanide
• IUPAC传统名: potassium (ethoxymethanethioyl)sulfanide
• 别名: 乙基黄原酸钾; potassium ethylxanthogenate; potassium-O-ethyl dithiocarbonate; Potassium ethyl xanthate; Ethyl potassium xanthate; O-Ethylxanthic acid potassium salt; Potassium ethyl xanthate; Potassium O-ethyl carbonodithioate; Carbonodithioic Acid O-Ethyl Ester Potassium Salt; (O-Ethyl Dithiocarbonato)potassium; O-Ethyl Carbonodithioate; Potassium Ethyl Xanthogenate technical grade, 90%

登记号

• CAS号: 140-89-6
• EC号: 205-439-3
• MDL号: MFCD00004931
• Beilstein号: 3596974
• 默克索引号: 147696
• PubChem SID: 162223363
• PubChem CID: 2735045
• Chemspider ID: 8491
• 维基百科标题: Potassium_ethyl_xanthate

理论计算性质

• Acid pKa: 1.141272
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.0134006
• LogD (pH = 7.4): 1.0131584
• Log P: 2.1561372
• 摩尔折射率: 34.1628 cm^3
• 极化性: 13.784164 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Water
• 外观: Light Green Solid; Pale yellow powder
• 熔点: 214-216°C; 225 – 226 °C; ca 205°C dec.
• 沸点: decomposes
• 闪点: 205°C(401°F)
• 密度: 1.263 g/cm^3; 1.558
• pKa: approximately 1.6

安全信息

• RTECS编号: FG1575000
• 欧盟危险性物质标志: X
• 危险公开号: 22-36/37/38; R15 R21 R22 R29 R36 R38
• 安全公开号: 26-36/37-60; S3 S9 S35 S36 S37 S38 S39 S16 S23 S51
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS危险声明: H302-H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 95+%; 98%

参考文献

• Reagent for extraction of metal ions into organic solvents: Talanta, 23, 417 (1975).
• For use in the conversion of o-phenylenediamines to 2-mercapto benzimidazoles and o-amino phenols to 2-mercapto benzoxazoles, see: Org. Synth. Coll., 4, 569 (1963).
• Reaction with the tosylate of a secondary alcohol, followed by cleavage with ethylenediamine gives the thiol of opposite configuration: Synthesis, 425 (1974).
• For conversion of arene diazonium salts to thiols via the aryl ethyl xanthate, see: Org. Synth. Coll., 3, 809 (1955). [Caution! explosive diazonium xanthates may be formed: Org. Synth. Coll., 5, 1050 (1973)].