(4-methanesulfonylphenyl)hydrazine

• ChemBase ID: 256439
• Molecular Formular: C7H10N2O2S
• Molecular Mass: 186.2315
• Monoisotopic Mass: 186.04629857
• SMILES: S(=O)(=O)(c1ccc(NN)cc1)C
• Canonical SMILES: NNc1ccc(cc1)S(=O)(=O)C
• InChI: InChI=1S/C7H10N2O2S/c1-12(10,11)7-4-2-6(9-8)3-5-7/h2-5,9H,8H2,1H3
• InChIKey: ZHYAENSFCNMJQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methanesulfonylphenyl)hydrazine
• IUPAC Traditional name: (4-methanesulfonylphenyl)hydrazine
• Synonyms: [4-(methylsulfonyl)phenyl]hydrazine

Database IDs

• CAS Number: 877-66-7
• MDL Number: MFCD00007580
• PubChem SID: 164312349
• PubChem CID: 70142

CALCULATED PROPERTIES

• Acid pKa: 18.372131
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.14005256
• LogD (pH = 7.4): 0.20430586
• Log P: 0.20519696
• Molar Refractivity: 49.7683 cm^3
• Polarizability: 18.888123 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 132 - 134°C
• Hydrophobicity(logP): 0.38

Product Information

• Purity: 95%