4-(2-ethoxyethoxy)benzene-1-sulfonyl chloride

• ChemBase ID: 263875
• Molecular Formular: C10H13ClO4S
• Molecular Mass: 264.72582
• Monoisotopic Mass: 264.02230758
• SMILES: S(=O)(=O)(c1ccc(cc1)OCCOCC)Cl
• Canonical SMILES: CCOCCOc1ccc(cc1)S(=O)(=O)Cl
• InChI: InChI=1S/C10H13ClO4S/c1-2-14-7-8-15-9-3-5-10(6-4-9)16(11,12)13/h3-6H,2,7-8H2,1H3
• InChIKey: KJPYBXNRJJZNRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-ethoxyethoxy)benzene-1-sulfonyl chloride
• IUPAC Traditional name: 4-(2-ethoxyethoxy)benzenesulfonyl chloride
• Synonyms: 4-(2-ethoxyethoxy)benzene-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD12174607
• PubChem SID: 164319785
• PubChem CID: 22727046

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.07171
• LogD (pH = 7.4): 2.07171
• Log P: 2.07171
• Molar Refractivity: 62.5075 cm^3
• Polarizability: 25.17394 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.368

Product Information

• Purity: 95%