trisodium P-oxidosulfanephosphonite

• ChemBase ID: 129539
• Molecular Formular: Na3O3PS
• Molecular Mass: 180.006271
• Monoisotopic Mass: 179.89988433
• SMILES: [O-]P(=S)([O-])[O-].[Na+].[Na+].[Na+]
• Canonical SMILES: [O-]P(=S)([O-])[O-].[Na+].[Na+].[Na+]
• InChI: InChI=1S/3Na.H3O3PS/c;;;1-4(2,3)5/h;;;(H3,1,2,3,5)/q3*+1;/p-3
• InChIKey: RIFYBBXGYKFBFC-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 10101-88-9; 10489-48-2
• EC Number: 233-26-1
• MDL Number: MFCD00041513
• Merck Index: 148693
• PubChem SID: 162223831
• PubChem CID: 9877537; 6913045
• Wikipedia Title: Sodium_monothiophosphate

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

Physical Property

• Solubility: Miscible in water
• Apperance: Crystalline aggregates; Crystalline white solid
• Melting Point: 120-125 °C (decomposition); 53-58°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A