propane-2-sulfonohydrazide

• ChemBase ID: 267027
• Molecular Formular: C3H10N2O2S
• Molecular Mass: 138.1887
• Monoisotopic Mass: 138.04629857
• SMILES: S(=O)(=O)(NN)C(C)C
• Canonical SMILES: NNS(=O)(=O)C(C)C
• InChI: InChI=1S/C3H10N2O2S/c1-3(2)8(6,7)5-4/h3,5H,4H2,1-2H3
• InChIKey: YSWKNOTVKJDDGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propane-2-sulfonohydrazide
• IUPAC Traditional name: propane-2-sulfonohydrazide
• Synonyms: propane-2-sulfonohydrazide

Database IDs

• MDL Number: MFCD03551046
• PubChem SID: 164322937
• PubChem CID: 5078112

CALCULATED PROPERTIES

• Acid pKa: 13.270764
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.75412077
• LogD (pH = 7.4): -0.7539616
• Log P: -0.75396377
• Molar Refractivity: 31.966 cm^3
• Polarizability: 13.07713 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.196

Product Information

• Purity: 95%