tert-butyl(1,3-dithian-2-yl)dimethylsilane

• ChemBase ID: 140139
• Molecular Formular: C10H22S2Si
• Molecular Mass: 234.49718
• Monoisotopic Mass: 234.09321924
• SMILES: CC(C)(C)[Si](C)(C)C1SCCCS1
• Canonical SMILES: CC([Si](C1SCCCS1)(C)C)(C)C
• InChI: InChI=1S/C10H22S2Si/c1-10(2,3)13(4,5)9-11-7-6-8-12-9/h9H,6-8H2,1-5H3
• InChIKey: JISLIURJHXAPTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(1,3-dithian-2-yl)dimethylsilane
• IUPAC Traditional name: tert-butyl(1,3-dithian-2-yl)dimethylsilane
• Synonyms: 2-(tert-Butyldimethylsilyl)-1,3-dithiane; 2-(叔丁基二甲基甲硅烷基)-1,3-二噻烷

Database IDs

• CAS Number: 95452-06-5
• MDL Number: MFCD02093667
• PubChem SID: 162234383; 24873748
• PubChem CID: 552599

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7215
• LogD (pH = 7.4): 4.7215
• Log P: 4.7215
• Molar Refractivity: 63.6842 cm^3
• Polarizability: 27.489397 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 124 °C/5 mmHg(lit.)
• Flash Point: 105 °C; 221 °F
• Density: 1.01 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.531(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H22S2Si

DETAILS

Sigma Aldrich - 514241

Packaging
1 g in glass bottle
A versatile acyl anion equivalent.1,2