trimethyl(methylsulfanyl)silane

• ChemBase ID: 89096
• Molecular Formular: C4H12SSi
• Molecular Mass: 120.28858
• Monoisotopic Mass: 120.04289792
• SMILES: [Si](C)(C)(SC)C
• Canonical SMILES: CS[Si](C)(C)C
• InChI: InChI=1S/C4H12SSi/c1-5-6(2,3)4/h1-4H3
• InChIKey: JDYCDPFQWXHUDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(methylsulfanyl)silane
• IUPAC Traditional name: trimethyl(methylsulfanyl)silane
• Synonyms: Methyl trimethylsilyl sulphide; (Methylsulphanyl)trimethylsilane; (Methylmercapto)trimethylsilane; (Methylthio)trimethylsilane; (Methylthio)trimethylsilane; Methyl trimethylsilyl sulfide; Trimethylsilyl methyl sulfide; Trimethyl(methylthio)silane; (甲硫基)三甲基硅烷; 三甲基硅烷基甲基硫化物; 甲基三甲基硅烷基硫化物; 三甲基甲硫基硅烷

Database IDs

• CAS Number: 3908-55-2
• EC Number: 223-466-9
• MDL Number: MFCD00042843
• Beilstein Number: 2035839
• PubChem SID: 162075981; 24889716; 24862082
• PubChem CID: 77513

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0189
• LogD (pH = 7.4): 2.0189
• Log P: 2.0189
• Molar Refractivity: 30.9139 cm^3
• Polarizability: 14.085128 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110-114 °C(lit.); 110-114°C
• Flash Point: 22 °C; 22°C; 71.6 °F
• Density: 0.848; 0.848 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.451; n20/D 1.451(lit.)

Safety Information

• Storage Warning: Highly Flammable/Irritant/Moisture Sensitive/Stench/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• 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: ≥97.0% (GC); 97%
• Grade: purum
• Linear Formula: (CH3)3SiSCH3

DETAILS

Sigma Aldrich - 359491

Packaging
5 mL in ampule

Sigma Aldrich - 92758

Other Notes
Reagent for the thioacetalisation of carbonyl compounds1; Review2; Silylating agent3