(3-methanesulfonylpropyl)hydrazine

• ChemBase ID: 799624
• Molecular Formular: C4H12N2O2S
• Molecular Mass: 152.21528
• Monoisotopic Mass: 152.06194863
• SMILES: NNCCCS(=O)(=O)C
• Canonical SMILES: NNCCCS(=O)(=O)C
• InChI: InChI=1S/C4H12N2O2S/c1-9(7,8)4-2-3-6-5/h6H,2-5H2,1H3
• InChIKey: ZQJQZDHBEXECJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methanesulfonylpropyl)hydrazine
• IUPAC Traditional name: (3-methanesulfonylpropyl)hydrazine
• Synonyms: (3-(methylsulfonyl)propyl)hydrazine

Database IDs

• CAS Number: 887591-96-0

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.242859
• LogD (pH = 7.4): -2.0730958
• Log P: -2.070462
• Molar Refractivity: 48.2421 cm^3
• Polarizability: 15.172122 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%