diammonium sulfanediide

• ChemBase编号: 125839
• 分子式: N2S
• 平均质量: 60.0784
• 单一同位素质量: 59.97821901
• SMILES: [SH2-2].[NH4+].[NH4+]
• Canonical SMILES: [NH4+].[NH4+].[SH2-2]
• InChI: InChI=1S/2H3N.S/h2*1H3;/q;;-2/p+2
• InChIKey: UYJXRRSPUVSSMN-UHFFFAOYSA-P

名称和登记号

名称

• IUPAC标准名: diammonium sulfanediide
• IUPAC传统名: diammonium sulfanediide
• 别名: 硫化铵; Ammonium sulfide; Diammonium sulfide; Ammonium sulfide

登记号

• CAS号: 12135-76-1
• EC号: 235-223-4
• MDL号: MFCD00010892
• PubChem SID: 162220184
• PubChem CID: 25519
• Chemspider ID: 23808
• 美国药典/FDA物质标识码: 2H0Q32TDFZ
• 维基百科标题: Ammonium_sulfide

理论计算性质

• 质子受体: 0
• 质子供体: 1
• LogD (pH = 5.5): -3.7525723
• LogD (pH = 7.4): -2.4393091
• Log P: -0.978
• 摩尔折射率: 16.3149 cm^3
• 极化性: 2.1934314 Å^3
• 极化表面积: 0.0 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: 128.1 g/100 mL in water; soluble in alcohol ; very soluble in liquid ammonia
• 外观: Liquid; yellow crystals (> -18 °C) ; hygroscopic
• 熔点: decomposes at ambient temperatures
• 闪点: 32.22 °C
• 密度: 0.997; 0.997 g/cm^3

安全信息

• RTECS编号: BS4900000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); Corrosive (C); Dangerous for the environment (N); 环境危害性(Nature polluting) (N)
• 联合国危险货物编号: 2683 (solution); UN2683
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): II
• 危险公开号: 10-31-34-50; R31, R34, R50
• 安全公开号: 20-23-26-36/37/39-45-57; S1/2, S26, S45, S61
• TSCA收录: 是
• 欧盟危险品索引: 016-008-00-2
• GHS危险品标识: GHS02; GHS05; GHS09
• NFPA704:
  

  3

  3

  0
• GHS危险声明: H314-H318-H226-H400
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

产品相关信息

• 纯度: 20-24% aq. soln.; 40-44% w/w aq. soln.

参考文献

• A simple procedure has been described for the synthesis of primary thioamides from nitriles with the reagent in methanol, giving much higher yields than NaSH. The reaction is greatly accelerated by microwave irradiation: Synlett, 2615 (2004).