(3-methanesulfonylphenyl)hydrazine

• ChemBase ID: 247223
• Molecular Formular: C7H10N2O2S
• Molecular Mass: 186.2315
• Monoisotopic Mass: 186.04629857
• SMILES: S(=O)(=O)(c1cc(NN)ccc1)C
• Canonical SMILES: NNc1cccc(c1)S(=O)(=O)C
• InChI: InChI=1S/C7H10N2O2S/c1-12(10,11)7-4-2-3-6(5-7)9-8/h2-5,9H,8H2,1H3
• InChIKey: SZPJJHUFWHTSON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methanesulfonylphenyl)hydrazine
• IUPAC Traditional name: (3-methanesulfonylphenyl)hydrazine
• Synonyms: (3-methanesulfonylphenyl)hydrazine

Database IDs

• MDL Number: MFCD19201383
• PubChem SID: 164303133
• PubChem CID: 22034382

CALCULATED PROPERTIES

• Acid pKa: 19.470135
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.15162808
• LogD (pH = 7.4): 0.20447974
• Log P: 0.20519696
• Molar Refractivity: 49.7683 cm^3
• Polarizability: 18.88884 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93 - 95°C
• Hydrophobicity(logP): 0.38

Product Information

• Purity: 95%