[2-(benzenesulfonyl)ethyl]trimethylsilane

• ChemBase ID: 137541
• Molecular Formular: C11H18O2SSi
• Molecular Mass: 242.40992
• Monoisotopic Mass: 242.07967735
• SMILES: C[Si](C)(C)CCS(=O)(=O)c1ccccc1
• Canonical SMILES: C[Si](CCS(=O)(=O)c1ccccc1)(C)C
• InChI: InChI=1S/C11H18O2SSi/c1-15(2,3)10-9-14(12,13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
• InChIKey: IVPQHMQOYMNETK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(benzenesulfonyl)ethyl]trimethylsilane
• IUPAC Traditional name: [2-(benzenesulfonyl)ethyl]trimethylsilane
• Synonyms: 1-(Phenylsulfonyl)-2-(trimethylsilyl)ethane; 2-(Phenylsulfonyl)ethyltrimethylsilane; 2-(Trimethylsilyl)ethyl phenyl sulfone; Phenyl 2-trimethylsilylethyl sulfone; 1-(苯磺酰)-2-(三甲基硅基)乙烷; 2-(三甲基硅基)乙基苯基砜; 2-(苯磺酰)乙基三甲基硅烷; 2-三甲基甲硅乙基苯基砜

Database IDs

• CAS Number: 73476-18-3
• MDL Number: MFCD00015929
• Beilstein Number: 2456206
• PubChem SID: 162231803
• PubChem CID: 2724975

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7849
• LogD (pH = 7.4): 2.7849
• Log P: 2.7849
• Molar Refractivity: 59.9956 cm^3
• Polarizability: 26.6017 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51-52 °C(lit.)
• Flash Point: 113 °C; 235.4 °F

Safety Information

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

Product Information

• Purity: 99%
• Linear Formula: (CH3)3SiCH2CH2SO2C6H5