propane-1-sulfonohydrazide

• ChemBase ID: 278592
• Molecular Formular: C3H10N2O2S
• Molecular Mass: 138.1887
• Monoisotopic Mass: 138.04629857
• SMILES: S(=O)(=O)(NN)CCC
• Canonical SMILES: CCCS(=O)(=O)NN
• InChI: InChI=1S/C3H10N2O2S/c1-2-3-8(6,7)5-4/h5H,2-4H2,1H3
• InChIKey: CENQGEGPYPBQSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propane-1-sulfonohydrazide
• IUPAC Traditional name: propane-1-sulfonohydrazide
• Synonyms: propane-1-sulfonohydrazide

Database IDs

• MDL Number: MFCD03426900
• PubChem SID: 164334502
• PubChem CID: 4448311

CALCULATED PROPERTIES

• Acid pKa: 12.821691
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8003644
• LogD (pH = 7.4): -0.800196
• Log P: -0.80020565
• Molar Refractivity: 31.9474 cm^3
• Polarizability: 13.07713 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.976

Product Information

• Purity: 95%