barium(2+) ion sulfanediide

• ChemBase ID: 126035
• Molecular Formular: BaS
• Molecular Mass: 169.392
• Monoisotopic Mass: 169.877318
• SMILES: [Ba+2].[SH2-2]
• Canonical SMILES: [SH2-2].[Ba+2]
• InChI: InChI=1S/Ba.S/q+2;-2
• InChIKey: CJDPJFRMHVXWPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion sulfanediide
• IUPAC Traditional name: barium(2+) ion sulfanediide
• Synonyms: Barium sulfide, tech.; Barium sulfide; Barium sulfide; 硫化钡, tech.; 硫化钡

Database IDs

• CAS Number: 21109-95-5
• EC Number: 244-214-4
• MDL Number: MFCD00014192
• Merck Index: 14995
• PubChem SID: 162220376
• PubChem CID: 6857597
• CHEBI ID: 32590
• Chemspider ID: 5256933
• Wikipedia Title: Barium_sulfide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.06446023
• LogD (pH = 7.4): -0.7196984
• Log P: -0.0375
• Molar Refractivity: 5.7558 cm^3
• Polarizability: 3.055504 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 2.88 g/100 mL (0 °C) ; 7.68 g/100 mL (20 °C) ; 60.3 g/100 mL (100 °C) in water; insoluble in alcohol
• Apperance: -200 Mesh Powder
• Melting Point: 1200 °C; 1200°C
• Boiling Point: decomposes
• Density: 4.25; 4.25 g/cm^3
• Refractive Index: 2.155

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Dangerous for the environment (N); Harmful (Xn); Nature polluting (N); X
• UN Number: UN3134
• Hazard Class: 4.3
• Packing Group: III
• Risk Statements: 20/22-31-50; R20/22, R31, R50
• Safety Statements: 2-28-61; 28-61; S2, S28, S61
• TSCA Listed: 是
• EU Index: 016-002-00-X
• GHS Pictograms: GHS02; GHS06; GHS07; GHS09
• NFPA704:
  

  3

  2

  0
• GHS Hazard statements: H331-H302-H261-H400; H400-H302-H332
• GHS Precautionary statements: P231+P232-P261-P280-P321-P405-P501A; P261-P273-P304+P340-P301+P312-P312-P501A

Product Information

• Purity: 99.7% (metals basis)