dipotassium (sulfonatodisulfanyl)sulfonate

• ChemBase ID: 130593
• Molecular Formular: K2O6S4
• Molecular Mass: 302.453
• Monoisotopic Mass: 301.78518508
• SMILES: [O-]S(=O)(=O)SSS(=O)(=O)[O-].[K+].[K+]
• Canonical SMILES: [O-]S(=O)(=O)SSS(=O)(=O)[O-].[K+].[K+]
• InChI: InChI=1S/2K.H2O6S4/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2
• InChIKey: UVTKHPSJNFFIDG-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium (sulfonatodisulfanyl)sulfonate
• IUPAC Traditional name: dipotassium tetrathionate
• Synonyms: Tetrathionic acid dipotassium salt; Potassium tetrathionate; 连四硫酸钾

Database IDs

• CAS Number: 13932-13-3
• EC Number: 237-702-3
• MDL Number: MFCD00079233
• PubChem SID: 24898373; 162224871
• PubChem CID: 61701

CALCULATED PROPERTIES

• Acid pKa: -2.9769547
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -4.7999
• LogD (pH = 7.4): -4.799902
• Log P: -0.047104545
• Molar Refractivity: 31.6806 cm^3
• Polarizability: 16.52302 Å^3
• Polar Surface Area: 114.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 2.96 g/mL at 25 °C(lit.)

Safety Information

• RTECS: XF6450000
• 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

DETAILS

Sigma Aldrich - P2926

包装
25, 100 g in poly bottle