2-hydrazinylethane-1-sulfonamide

• ChemBase ID: 275233
• Molecular Formular: C2H9N3O2S
• Molecular Mass: 139.17676
• Monoisotopic Mass: 139.04154754
• SMILES: S(=O)(=O)(CCNN)N
• Canonical SMILES: NNCCS(=O)(=O)N
• InChI: InChI=1S/C2H9N3O2S/c3-5-1-2-8(4,6)7/h5H,1-3H2,(H2,4,6,7)
• InChIKey: MNCLHDDODHEKNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinylethane-1-sulfonamide
• IUPAC Traditional name: 2-hydrazinylethanesulfonamide
• Synonyms: 2-hydrazinylethane-1-sulfonamide

Database IDs

• MDL Number: MFCD11191982
• PubChem SID: 164331143
• PubChem CID: 28966761

CALCULATED PROPERTIES

• Acid pKa: 11.448926
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.5176249
• LogD (pH = 7.4): -2.3670366
• Log P: -2.3646996
• Molar Refractivity: 41.1174 cm^3
• Polarizability: 12.696555 Å^3
• Polar Surface Area: 98.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.131

Product Information

• Purity: 95%