trisodium P-oxidosulfanephosphonite hydrate

• ChemBase ID: 130588
• Molecular Formular: H2Na3O4PS
• Molecular Mass: 198.021551
• Monoisotopic Mass: 197.91044902
• SMILES: O.[O-]P(=S)([O-])[O-].[Na+].[Na+].[Na+]
• Canonical SMILES: [O-]P(=S)([O-])[O-].O.[Na+].[Na+].[Na+]
• InChI: InChI=1S/3Na.H3O3PS.H2O/c;;;1-4(2,3)5;/h;;;(H3,1,2,3,5);1H2/q3*+1;;/p-3
• InChIKey: VYYYFZBRAKXIPU-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trisodium P-oxidosulfanephosphonite hydrate
• IUPAC Traditional name: trisodium hydrate thiophosphate
• Synonyms: Sodium thiophosphate tribasic hydrate; 硫代磷酸钠 三元 水合物

Database IDs

• CAS Number: 10489-48-2
• EC Number: 233-261-6
• MDL Number: MFCD00150622
• PubChem SID: 24899444; 162224866
• PubChem CID: 53442939

CALCULATED PROPERTIES

• Acid pKa: 2.418572
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.5166304
• LogD (pH = 7.4): -3.750971
• Log P: -0.13023424
• Molar Refractivity: 19.2777 cm^3
• Polarizability: 8.503514 Å^3
• Polar Surface Area: 69.18 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90%

DETAILS

Sigma Aldrich - S0764

包装
5 g in poly bottle