(ethylsulfanyl)trimethylsilane

• ChemBase ID: 148343
• Molecular Formular: C5H14SSi
• Molecular Mass: 134.31516
• Monoisotopic Mass: 134.05854798
• SMILES: CCS[Si](C)(C)C
• Canonical SMILES: CCS[Si](C)(C)C
• InChI: InChI=1S/C5H14SSi/c1-5-6-7(2,3)4/h5H2,1-4H3
• InChIKey: HXAFQWICVBBXMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (ethylsulfanyl)trimethylsilane
• IUPAC Traditional name: (ethylsulfanyl)trimethylsilane
• Synonyms: Trimethyl(ethylthio)silane; (Ethylthio)trimethylsilane, Technical Grade; Ethyl trimethylsilyl sulfide; Trimethylsilyl ethyl sulfide; (Ethylthio)trimethylsilane; 三甲基硅基乙基硫醚; 乙基三甲基硅基硫醚; (乙基硫代)三甲基硅烷

Database IDs

• CAS Number: 5573-62-6
• MDL Number: MFCD00042890
• PubChem SID: 162242519; 24863417
• PubChem CID: 2733426

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3262
• LogD (pH = 7.4): 2.3262
• Log P: 2.3262
• Molar Refractivity: 35.6347 cm^3
• Polarizability: 15.930721 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Hexanes
• Apperance: Clear Colourless Liquid
• Boiling Point: 69-70 °C/100 mmHg(lit.)
• Flash Point: 17 °C; 62.6 °F
• Density: 0.83 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.45(lit.)

Safety Information

• Storage Condition: -20°C Freezer
• European Hazard Symbols: Flammable (F)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 16-29-33
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 90%
• Grade: technical grade
• Linear Formula: C2H5SSi(CH3)3

DETAILS

Sigma Aldrich - 376035

Packaging
1 g in glass bottle

Toronto Research Chemicals - E926880

Used in the syntesis of azasilasulfonium salts.

REFERENCES

• Franek, W., et al.: Sulfur Letters, 19, 181 (1996)