naphthalene-2-sulfonohydrazide

• ChemBase ID: 27370
• Molecular Formular: C10H10N2O2S
• Molecular Mass: 222.2636
• Monoisotopic Mass: 222.04629857
• SMILES: S(=O)(=O)(c1cc2c(cc1)cccc2)NN
• Canonical SMILES: NNS(=O)(=O)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C10H10N2O2S/c11-12-15(13,14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12H,11H2
• InChIKey: OPTPEWSLEFFPTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-2-sulfonohydrazide
• IUPAC Traditional name: naphthalene-2-sulfonohydrazide
• Synonyms: Naphthalene-2-sulfonohydrazide

Database IDs

• MDL Number: MFCD00596250
• PubChem SID: 160990677
• PubChem CID: 321713

CALCULATED PROPERTIES

• Acid pKa: 9.918095
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2723439
• LogD (pH = 7.4): 1.2814927
• Log P: 1.2722776
• Molar Refractivity: 59.1502 cm^3
• Polarizability: 24.52933 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false