piperazine-1,4-disulfonyl dichloride

• ChemBase ID: 798968
• Molecular Formular: C4H8Cl2N2O4S2
• Molecular Mass: 283.15332
• Monoisotopic Mass: 281.93025411
• SMILES: C1CN(CCN1S(=O)(=O)Cl)S(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)N1CCN(CC1)S(=O)(=O)Cl
• InChI: InChI=1S/C4H8Cl2N2O4S2/c5-13(9,10)7-1-2-8(4-3-7)14(6,11)12/h1-4H2
• InChIKey: COIOMSXMIRZRKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperazine-1,4-disulfonyl dichloride
• IUPAC Traditional name: piperazine-1,4-disulfonyl dichloride
• Synonyms: piperazine-1,4-disulfonyl dichloride

Database IDs

• CAS Number: 36959-72-5

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.75040895
• LogD (pH = 7.4): -0.75040895
• Log P: -0.75040895
• Molar Refractivity: 53.4046 cm^3
• Polarizability: 22.287985 Å^3
• Polar Surface Area: 74.76 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%