disodium hydrate sulfanediide

• ChemBase ID: 302833
• Molecular Formular: Na2OS
• Molecular Mass: 94.04394
• Monoisotopic Mass: 93.94652418
• SMILES: O.[Na+].[Na+].[SH2-2]
• Canonical SMILES: O.[Na+].[Na+].[SH2-2]
• InChI: InChI=1S/2Na.H2O.S/h;;1H2;/q2*+1;;-2
• InChIKey: XNFVGEUMTFIVHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium hydrate sulfanediide
• IUPAC Traditional name: disodium hydrate sulfanediide
• Synonyms: Sodium sulfide hydrate, tech.; 水合硫化钠, tech.

Database IDs

• CAS Number: 27610-45-3
• EC Number: 215-211-5
• MDL Number: MFCD00149183
• Merck Index: 148681

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 3.7 cm^3
• Polarizability: 1.4714895 Å^3
• Polar Surface Area: 25.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water. Slightly soluble in alcohol. Insoluble in ether
• Apperance: Flake
• Melting Point: ca 50°C dec.
• Density: 1.427

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN1849
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 22-24-31-34-50
• Safety Statements: 26-36/37/39-45-61
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS09
• GHS Hazard statements: H301-H310-H314-H318-H400
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A