1H-pyrazole-4-sulfonohydrazide

• ChemBase ID: 286242
• Molecular Formular: C3H6N4O2S
• Molecular Mass: 162.17034
• Monoisotopic Mass: 162.02114645
• SMILES: S(=O)(=O)(c1c[nH]nc1)NN
• Canonical SMILES: NNS(=O)(=O)c1c[nH]nc1
• InChI: InChI=1S/C3H6N4O2S/c4-7-10(8,9)3-1-5-6-2-3/h1-2,7H,4H2,(H,5,6)
• InChIKey: RARHDAYNYYVITG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrazole-4-sulfonohydrazide
• IUPAC Traditional name: 1H-pyrazole-4-sulfonohydrazide
• Synonyms: 1H-pyrazole-4-sulfonohydrazide

Database IDs

• MDL Number: MFCD12806245
• PubChem SID: 180671773
• PubChem CID: 60917034

CALCULATED PROPERTIES

• Acid pKa: 8.953105
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.4121699
• LogD (pH = 7.4): -1.348917
• Log P: -1.4130151
• Molar Refractivity: 36.3874 cm^3
• Polarizability: 14.020554 Å^3
• Polar Surface Area: 100.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.078

Product Information

• Purity: 95%