N'-(diphenylmethylidene)-4-methylbenzene-1-sulfonohydrazide

• ChemBase ID: 139174
• Molecular Formular: C20H18N2O2S
• Molecular Mass: 350.43412
• Monoisotopic Mass: 350.10889883
• SMILES: Cc1ccc(cc1)S(=O)(=O)N/N=C(/c1ccccc1)\c1ccccc1
• Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)N/N=C(/c1ccccc1)\c1ccccc1
• InChI: InChI=1S/C20H18N2O2S/c1-16-12-14-19(15-13-16)25(23,24)22-21-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,22H,1H3
• InChIKey: AVWHDUALELPLAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(diphenylmethylidene)-4-methylbenzene-1-sulfonohydrazide
• IUPAC Traditional name: N'-(diphenylmethylidene)-4-methylbenzenesulfonohydrazide
• Synonyms: Toluene-4-sulfonic acid benzhydrylidenehydrazone; Benzophenone tosylhydrazone; Benzophenone tosylhydrazone; p-Toluenesulfonic acid benzhydrylidenehydrazide; Benzophenone p-toluenesulfonylhydrazone; 二苯甲酮甲苯磺酰腙; 二苯甲酮对家苯磺酰腙

Database IDs

• CAS Number: 4545-20-4
• MDL Number: MFCD00381345
• PubChem SID: 24880324; 162233422
• PubChem CID: 274531

CALCULATED PROPERTIES

• Acid pKa: 9.816205
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.9789424
• LogD (pH = 7.4): 4.9904084
• Log P: 4.9787974
• Molar Refractivity: 100.3477 cm^3
• Polarizability: 39.09809 Å^3
• Polar Surface Area: 58.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178-182 °C(lit.); 178-182°C

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: (C6H5)2C=NNHSO2C6H4CH3