diammonium sulfanediide

• ChemBase ID: 125839
• Molecular Formular: N2S
• Molecular Mass: 60.0784
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: diammonium sulfanediide
• IUPAC Traditional name: diammonium sulfanediide
• Synonyms: Ammonium sulfide; Diammonium sulfide; Ammonium sulfide; 硫化铵

Database IDs

• CAS Number: 12135-76-1
• EC Number: 235-223-4
• MDL Number: MFCD00010892
• PubChem SID: 162220184
• PubChem CID: 25519
• Chemspider ID: 23808
• Unique Ingredient Identifier: 2H0Q32TDFZ
• Wikipedia Title: Ammonium_sulfide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): -3.7525723
• LogD (pH = 7.4): -2.4393091
• Log P: -0.978
• Molar Refractivity: 16.3149 cm^3
• Polarizability: 2.1934314 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 128.1 g/100 mL in water; soluble in alcohol ; very soluble in liquid ammonia
• Apperance: Liquid; yellow crystals (> -18 °C) ; hygroscopic
• Melting Point: decomposes at ambient temperatures
• Flash Point: 32.22 °C
• Density: 0.997; 0.997 g/cm^3

Safety Information

• RTECS: BS4900000
• European Hazard Symbols: Corrosive (C); Corrosive (C); Dangerous for the environment (N); Nature polluting (N)
• UN Number: 2683 (solution); UN2683
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 10-31-34-50; R31, R34, R50
• Safety Statements: 20-23-26-36/37/39-45-57; S1/2, S26, S45, S61
• TSCA Listed: 是
• EU Index: 016-008-00-2
• GHS Pictograms: GHS02; GHS05; GHS09
• NFPA704:
  

  3

  3

  0
• GHS Hazard statements: H314-H318-H226-H400
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

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

REFERENCES

• 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).