potassium cyanosulfanide

• ChemBase编号: 129086
• 分子式: CKNS
• 平均质量: 97.1807
• 单一同位素质量: 96.93885169
• SMILES: C(#N)[S-].[K+]
• Canonical SMILES: [S-]C#N.[K+]
• InChI: InChI=1S/CHNS.K/c2-1-3;/h3H;/q;+1/p-1
• InChIKey: ZNNZYHKDIALBAK-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: potassium cyanosulfanide
• IUPAC传统名: potassium thiocyanate
• 别名: 硫氰酸钾, 0.1N标准溶液; 硫氰酸钾, ACS; 硫氰酸钾; Potassium sulfocyanate; Potassium isothiocyanate; Potassium thiocyanide Potassium rhodanide; Potassium thiocyanate; Potassium thiocyanate, 0.1N Standardized Solution; Potassium thiocyanate, ACS; Potassium rhodanide; Potassium thiocyanate

登记号

• CAS号: 333-20-0
• EC号: 206-370-1
• MDL号: MFCD00011413
• Beilstein号: 3594799
• 默克索引号: 147691
• PubChem SID: 162223385
• PubChem CID: 516872
• CHEBI ID: 30951
• Chemspider ID: 9150
• 美国药典/FDA物质标识码: TM7213864A
• 维基百科标题: Potassium_thiocyanate

理论计算性质

• Log P: 0.5057529
• 摩尔折射率: 16.0894 cm^3
• 极化性: 5.888356 Å^3
• 极化表面积: 23.79 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true
• Acid pKa: 0.49709612
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -0.6371734
• LogD (pH = 7.4): -0.63722837

分子性质

理化性质

• 溶解度: 177 g/100 mL (0 °C) ; 217 g/100 mL (20 °C) in water; 21.0 g/100 mL in acetone; Soluble in water, acetone, and alcohol. When dissolved in its own weight of water, the temperature drops ≈30
• 外观: Colorless deliquescent crystals; Crystalline; Liquid
• 熔点: 172-175°C; 173.2°C
• 沸点: 500 °C (decomp); 500°C dec.
• 密度: 1.886 g/cm^3; 1.89
• 气味: Odorless

安全信息

• 保存注意事项: Moisture & Light Sensitive
• RTECS编号: XL1925000
• 欧盟危险性物质标志: X
• 危险公开号: 20/21/22-32-52/53; R20/21/22 R32 R52/53
• 安全公开号: 13-36/37-46-61; S2 S13 S61
• TSCA收录: 是
• 欧盟危险品索引: 615-004-00-3
• GHS危险品标识: GHS07
• NFPA704:
  

  0

  3

  0
• 半数致死量: 854 mg/kg
• GHS危险声明: H302; H302-H312-H332-H412
• GHS警示性声明: P261-P280-P302+P352-P304+P340-P322-P501A; P264-P270-P301+P312-P330-P501A

产品相关信息

• 纯度: 98%; 98.5% min

参考文献

• Reaction with primary amine hydrohalide salts provides a useful synthesis of N-substituted and N,N'-disubstituted thioureas: Synthesis, 1569 (2000).