phenylmethanesulfonohydrazide

• ChemBase ID: 263995
• Molecular Formular: C7H10N2O2S
• Molecular Mass: 186.2315
• Monoisotopic Mass: 186.04629857
• SMILES: S(=O)(=O)(NN)Cc1ccccc1
• Canonical SMILES: NNS(=O)(=O)Cc1ccccc1
• InChI: InChI=1S/C7H10N2O2S/c8-9-12(10,11)6-7-4-2-1-3-5-7/h1-5,9H,6,8H2
• InChIKey: XBCFRZRVCDUSGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenylmethanesulfonohydrazide
• IUPAC Traditional name: phenylmethanesulfonohydrazide
• Synonyms: phenylmethanesulfonohydrazide

Database IDs

• MDL Number: MFCD01055925
• PubChem SID: 164319905
• PubChem CID: 269260

CALCULATED PROPERTIES

• Acid pKa: 11.829421
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.04482811
• LogD (pH = 7.4): 0.045050282
• Log P: 0.044937126
• Molar Refractivity: 47.2874 cm^3
• Polarizability: 18.921686 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131 - 133°C
• Hydrophobicity(logP): -0.266

Product Information

• Purity: 95%