[(benzenesulfonyl)methyl]trimethylsilane

• ChemBase ID: 139165
• Molecular Formular: C10H16O2SSi
• Molecular Mass: 228.38334
• Monoisotopic Mass: 228.06402728
• SMILES: C[Si](C)(C)CS(=O)(=O)c1ccccc1
• Canonical SMILES: C[Si](CS(=O)(=O)c1ccccc1)(C)C
• InChI: InChI=1S/C10H16O2SSi/c1-14(2,3)9-13(11,12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
• InChIKey: OEXJFEDAGJGOEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(benzenesulfonyl)methyl]trimethylsilane
• IUPAC Traditional name: [(benzenesulfonyl)methyl]trimethylsilane
• Synonyms: (Phenylsulfonylmethyl)trimethylsilane; (Trimethylsilyl)methyl phenyl sulfone; Phenyl trimethylsilylmethyl sulfone; (三甲基硅基)甲基苯基砜; 苯磺酰基甲基三甲基硅烷; 苯基三甲基硅基甲砜

Database IDs

• CAS Number: 17872-92-3
• MDL Number: MFCD00012364
• Beilstein Number: 1960911
• PubChem SID: 162233413
• PubChem CID: 3290840

CALCULATED PROPERTIES

• Acid pKa: 18.905401
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1184
• LogD (pH = 7.4): 3.1184
• Log P: 3.1184
• Molar Refractivity: 55.3499 cm^3
• Polarizability: 24.76156 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C10H16O2SSi