triethylsilyl 2-methylprop-2-ene-1-sulfinate

• ChemBase ID: 157557
• Molecular Formular: C10H22O2SSi
• Molecular Mass: 234.43098
• Monoisotopic Mass: 234.11097748
• SMILES: CC[Si](CC)(CC)OS(=O)CC(=C)C
• Canonical SMILES: CC[Si](OS(=O)CC(=C)C)(CC)CC
• InChI: InChI=1S/C10H22O2SSi/c1-6-14(7-2,8-3)12-13(11)9-10(4)5/h4,6-9H2,1-3,5H3
• InChIKey: IINRMKPFRWLCIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 850418-19-8
• MDL Number: MFCD18783100
• PubChem SID: 162251694
• PubChem CID: 71312540

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4002
• LogD (pH = 7.4): 3.4002
• Log P: 3.4002
• Molar Refractivity: 59.359 cm^3
• Polarizability: 26.14585 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 7
• 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

• Purity: ≥85% (GC)
• Grade: for GC derivatization
• Empirical Formula (Hill Notation): C10H22O2SSi