[2-(ethanesulfonyl)ethanesulfonyl]ethane

• ChemBase ID: 106950
• Molecular Formular: C6H14O4S2
• Molecular Mass: 214.30296
• Monoisotopic Mass: 214.03335093
• SMILES: CCS(=O)(=O)CCS(=O)(=O)CC
• Canonical SMILES: CCS(=O)(=O)CCS(=O)(=O)CC
• InChI: InChI=1S/C6H14O4S2/c1-3-11(7,8)5-6-12(9,10)4-2/h3-6H2,1-2H3
• InChIKey: JCKAPFIQSHKDSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(ethanesulfonyl)ethanesulfonyl]ethane
• IUPAC Traditional name: [2-(ethanesulfonyl)ethanesulfonyl]ethane
• Synonyms: 1,2-DI-(ETHYLSULFONYL)ETHANE

Database IDs

• CAS Number: 33976-39-5
• PubChem SID: 162088318
• PubChem CID: 118582

CALCULATED PROPERTIES

• Polar Surface Area: 68.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4510957
• LogD (pH = 7.4): -1.4510957
• Log P: -1.4510957
• Molar Refractivity: 47.435 cm^3
• Polarizability: 20.250967 Å^3

DETAILS

MP Biomedicals - 05202002

MP Biomedicals Rare Chemical collection