ethanesulfonohydrazide

• ChemBase ID: 266868
• Molecular Formular: C2H8N2O2S
• Molecular Mass: 124.16212
• Monoisotopic Mass: 124.03064851
• SMILES: S(=O)(=O)(NN)CC
• Canonical SMILES: CCS(=O)(=O)NN
• InChI: InChI=1S/C2H8N2O2S/c1-2-7(5,6)4-3/h4H,2-3H2,1H3
• InChIKey: DCKAWKLGSBZQEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethanesulfonohydrazide
• IUPAC Traditional name: ethanesulfonohydrazide
• Synonyms: ethanesulfonohydrazide

Database IDs

• MDL Number: MFCD09806351
• PubChem SID: 164322778
• PubChem CID: 22027639

CALCULATED PROPERTIES

• Acid pKa: 13.41821
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3228871
• LogD (pH = 7.4): -1.3227271
• Log P: -1.322728
• Molar Refractivity: 27.4234 cm^3
• Polarizability: 11.26251 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.505

Product Information

• Purity: 95%