(ethanesulfonyl)ethane

• ChemBase ID: 149703
• Molecular Formular: C4H10O2S
• Molecular Mass: 122.186
• Monoisotopic Mass: 122.04015056
• SMILES: CCS(=O)(=O)CC
• Canonical SMILES: CCS(=O)(=O)CC
• InChI: InChI=1S/C4H10O2S/c1-3-7(5,6)4-2/h3-4H2,1-2H3
• InChIKey: MBDUIEKYVPVZJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (ethanesulfonyl)ethane
• IUPAC Traditional name: diethyl sulfone
• Synonyms: Diethyl sulfone; Ethyl sulfone; Ethyl sulfone; Diethyl sulfone; 二乙砜; 乙基砜; 二乙基砜

Database IDs

• CAS Number: 597-35-3
• EC Number: 209-898-0
• MDL Number: MFCD00007569
• Beilstein Number: 1743753
• PubChem SID: 24854559; 162243865
• PubChem CID: 69004

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.2829774
• LogD (pH = 7.4): -0.2829774
• Log P: -0.2829774
• Molar Refractivity: 29.8642 cm^3
• Polarizability: 12.303364 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70-73°C; 73-74 °C(lit.)
• Boiling Point: 246 °C/755 mmHg(lit.); 246°C
• Density: 1.357

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%; 98%
• Linear Formula: (C2H5)2SO2

DETAILS

Sigma Aldrich - 242462

Packaging
5 g in glass bottle