[2-(ethanesulfonyl)ethyl]hydrazine hydrochloride

• ChemBase ID: 275434
• Molecular Formular: C4H13ClN2O2S
• Molecular Mass: 188.67622
• Monoisotopic Mass: 188.03862635
• SMILES: S(=O)(=O)(CCNN)CC.Cl
• Canonical SMILES: CCS(=O)(=O)CCNN.Cl
• InChI: InChI=1S/C4H12N2O2S.ClH/c1-2-9(7,8)4-3-6-5;/h6H,2-5H2,1H3;1H
• InChIKey: MZYZPLGJICLKCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(ethanesulfonyl)ethyl]hydrazine hydrochloride
• IUPAC Traditional name: [2-(ethanesulfonyl)ethyl]hydrazine hydrochloride
• Synonyms: [2-(ethanesulfonyl)ethyl]hydrazine hydrochloride

Database IDs

• MDL Number: MFCD18917355
• PubChem SID: 164331344
• PubChem CID: 54593681

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6911356
• LogD (pH = 7.4): -1.6223756
• Log P: -1.6214246
• Molar Refractivity: 47.6287 cm^3
• Polarizability: 15.172122 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85 - 87°C
• Hydrophobicity(logP): -1.409

Product Information

• Purity: 95%