ammonium diethyl sulfanidyl(sulfanylidene)phosphonite

• ChemBase ID: 303123
• Molecular Formular: C4H14NO2PS2
• Molecular Mass: 203.263221
• Monoisotopic Mass: 203.02035732
• SMILES: CCOP(=S)(OCC)[S-].[NH4+]
• Canonical SMILES: CCOP(=S)(OCC)[S-].[NH4+]
• InChI: InChI=1S/C4H11O2PS2.H3N/c1-3-5-7(8,9)6-4-2;/h3-4H2,1-2H3,(H,8,9);1H3
• InChIKey: HFRHTRKMBOQLLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium diethyl sulfanidyl(sulfanylidene)phosphonite
• IUPAC Traditional name: ammonium diethyl sulfanidyl(sulfanylidene)phosphonite
• Synonyms: Diethyl dithiophosphate ammonium salt; Ammonium O,O'-diethyl dithiophosphate; O,O-二乙基二硫代磷酸铵

Database IDs

• CAS Number: 1068-22-0
• EC Number: 213-942-4
• MDL Number: MFCD00012635

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

• Apperance: Crystalline
• Melting Point: 165-175°C

Safety Information

• RTECS: BP8145000
• TSCA Listed: 否

Product Information

• Purity: typically 95%