4-ethoxybenzene-1-sulfonohydrazide

• ChemBase ID: 27355
• Molecular Formular: C8H12N2O3S
• Molecular Mass: 216.25748
• Monoisotopic Mass: 216.05686325
• SMILES: S(=O)(=O)(NN)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)S(=O)(=O)NN
• InChI: InChI=1S/C8H12N2O3S/c1-2-13-7-3-5-8(6-4-7)14(11,12)10-9/h3-6,10H,2,9H2,1H3
• InChIKey: YAFWZZVGGJCNRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxybenzene-1-sulfonohydrazide
• IUPAC Traditional name: 4-ethoxybenzenesulfonohydrazide
• Synonyms: 4-Ethoxybenzenesulfonohydrazide

Database IDs

• CAS Number: 24924-80-9
• MDL Number: MFCD00519218
• PubChem SID: 160990662
• PubChem CID: 2063483

CALCULATED PROPERTIES

• Acid pKa: 10.290398
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.48193264
• LogD (pH = 7.4): 0.48587808
• Log P: 0.4819376
• Molar Refractivity: 53.9118 cm^3
• Polarizability: 21.43056 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 0.598

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%