[diphenyl(sulfanylidene)-λ5-phosphanyl]hydrazine

• ChemBase ID: 230547
• Molecular Formular: C12H13N2PS
• Molecular Mass: 248.283781
• Monoisotopic Mass: 248.05370606
• SMILES: P(=S)(NN)(c1ccccc1)c1ccccc1
• Canonical SMILES: NNP(=S)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C12H13N2PS/c13-14-15(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,13H2,(H,14,16)
• InChIKey: QJFDYBHUUOGHNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [diphenyl(sulfanylidene)-λ^5-phosphanyl]hydrazine
• IUPAC Traditional name: [diphenyl(sulfanylidene)-λ^5-phosphanyl]hydrazine
• Synonyms: P,P-diphenylphosphinothioic hydrazide

Database IDs

• CAS Number: 41309-60-8
• MDL Number: MFCD03150729
• PubChem SID: 164286457
• PubChem CID: 2342118

CALCULATED PROPERTIES

• Acid pKa: 16.387016
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 3.1526787
• LogD (pH = 7.4): 3.1693828
• Log P: 3.1696
• Molar Refractivity: 74.1665 cm^3
• Polarizability: 29.144617 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.747

Product Information

• Purity: 95%