(2,4-dimethanesulfonylphenyl)hydrazine

• ChemBase ID: 22540
• Molecular Formular: C8H12N2O4S2
• Molecular Mass: 264.32188
• Monoisotopic Mass: 264.02384887
• SMILES: N(N)c1c(cc(cc1)S(=O)(=O)C)S(=O)(=O)C
• Canonical SMILES: NNc1ccc(cc1S(=O)(=O)C)S(=O)(=O)C
• InChI: InChI=1S/C8H12N2O4S2/c1-15(11,12)6-3-4-7(10-9)8(5-6)16(2,13)14/h3-5,10H,9H2,1-2H3
• InChIKey: PKDDCIXNDZLQGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-dimethanesulfonylphenyl)hydrazine
• IUPAC Traditional name: (2,4-dimethanesulfonylphenyl)hydrazine
• Synonyms: 2,4-Bis(methylsulfonyl)phenylhydrazine; 2,4-Bis(methylsulphonyl)phenylhydrazine

Database IDs

• CAS Number: 187657-92-7
• MDL Number: MFCD00007563
• PubChem SID: 160985847
• PubChem CID: 93659

CALCULATED PROPERTIES

• Acid pKa: 13.236165
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.95869154
• LogD (pH = 7.4): -0.9548011
• Log P: -0.9544945
• Molar Refractivity: 63.7719 cm^3
• Polarizability: 24.961641 Å^3
• Polar Surface Area: 106.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false