propane-1,3-disulfonyl dichloride

• ChemBase ID: 286293
• Molecular Formular: C3H6Cl2O4S2
• Molecular Mass: 241.11334
• Monoisotopic Mass: 239.90845603
• SMILES: S(=O)(=O)(Cl)CCCS(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)CCCS(=O)(=O)Cl
• InChI: InChI=1S/C3H6Cl2O4S2/c4-10(6,7)2-1-3-11(5,8)9/h1-3H2
• InChIKey: QHABYFQJNLKLOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propane-1,3-disulfonyl dichloride
• IUPAC Traditional name: propane-1,3-disulfonyl dichloride
• Synonyms: propane-1,3-disulfonyl dichloride

Database IDs

• MDL Number: MFCD19200059
• PubChem SID: 180671824
• PubChem CID: 350961

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.19714129
• LogD (pH = 7.4): -0.19714129
• Log P: -0.19714129
• Molar Refractivity: 43.3504 cm^3
• Polarizability: 18.82763 Å^3
• Polar Surface Area: 68.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.947

Product Information

• Purity: 95%