tert-butyldimethylsilyl 2-methylprop-2-ene-1-sulfinate

• ChemBase ID: 157558
• Molecular Formular: C10H22O2SSi
• Molecular Mass: 234.43098
• Monoisotopic Mass: 234.11097748
• SMILES: CC(=C)CS(=O)O[Si](C)(C)C(C)(C)C
• Canonical SMILES: CC(=C)CS(=O)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C10H22O2SSi/c1-9(2)8-13(11)12-14(6,7)10(3,4)5/h1,8H2,2-7H3
• InChIKey: GPBFOXFZOXHPIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyldimethylsilyl 2-methylprop-2-ene-1-sulfinate
• IUPAC Traditional name: tert-butyldimethylsilyl 2-methylprop-2-ene-1-sulfinate
• Synonyms: 2-Methyl-2-propenesulfinic acid tert-butyldimethylsilyl ester; tert-Butyldimethylsilyl 2-methyl-2-propenesulfinate; tert-Butyldimethylsilyl methallylsulfinate

Database IDs

• CAS Number: 850418-20-1
• MDL Number: MFCD18783099
• PubChem SID: 162251695
• PubChem CID: 71312541

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2065
• LogD (pH = 7.4): 3.2065
• Log P: 3.2065
• Molar Refractivity: 58.9188 cm^3
• Polarizability: 26.14585 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• German water hazard class: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Storage Temperature: 2-8°C

Product Information

• Grade: for GC derivatization
• Empirical Formula (Hill Notation): C10H22O2SSi