potassium diethyl sulfanidyl(sulfanylidene)phosphonite

• ChemBase ID: 138340
• Molecular Formular: C4H10KO2PS2
• Molecular Mass: 224.323061
• Monoisotopic Mass: 223.94968987
• SMILES: CCOP(=S)(OCC)[S-].[K+]
• Canonical SMILES: CCOP(=S)(OCC)[S-].[K+]
• InChI: InChI=1S/C4H11O2PS2.K/c1-3-5-7(8,9)6-4-2;/h3-4H2,1-2H3,(H,8,9);/q;+1/p-1
• InChIKey: DIRULIGPZIEJFF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium diethyl sulfanidyl(sulfanylidene)phosphonite
• IUPAC Traditional name: potassium diethyl sulfanidyl(sulfanylidene)phosphonite
• Synonyms: Diethyl dithiophosphate potassium salt; 二乙基二硫代磷酸 钾盐

Database IDs

• CAS Number: 3454-66-8
• MDL Number: MFCD00761881
• PubChem SID: 24868162; 162232596
• PubChem CID: 11481509

CALCULATED PROPERTIES

• Acid pKa: 1.3514
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.5429469
• LogD (pH = 7.4): 0.54191536
• Log P: 2.0848842
• Molar Refractivity: 47.9738 cm^3
• Polarizability: 19.572765 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 187 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22
• Safety Statements: 26-36

Product Information

• Purity: 97%
• Linear Formula: (C2H5O)2P(S)SK