sodium diethyl sulfanidyl(sulfanylidene)phosphonite

• ChemBase ID: 123282
• Molecular Formular: C4H10NaO2PS2
• Molecular Mass: 208.214531
• Monoisotopic Mass: 207.97575247
• SMILES: P(=S)([S-])(OCC)OCC.[Na+]
• Canonical SMILES: CCOP(=S)(OCC)[S-].[Na+]
• InChI: InChI=1S/C4H11O2PS2.Na/c1-3-5-7(8,9)6-4-2;/h3-4H2,1-2H3,(H,8,9);/q;+1/p-1
• InChIKey: ZKDDJTYSFCWVGS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium diethyl sulfanidyl(sulfanylidene)phosphonite
• IUPAC Traditional name: sodium diethyl sulfanidyl(sulfanylidene)phosphonite
• Synonyms: sodium O,O-diethyl phosphorodithioate

Database IDs

• PubChem SID: 162217635
• PubChem CID: 11321726

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

Product Information

• Salt Data: Na+