2-(trimethylsilyl)-1,3-thiazole

• ChemBase ID: 64283
• Molecular Formular: C6H11NSSi
• Molecular Mass: 157.30874
• Monoisotopic Mass: 157.03814689
• SMILES: c1(nccs1)[Si](C)(C)C
• Canonical SMILES: C[Si](c1nccs1)(C)C
• InChI: InChI=1S/C6H11NSSi/c1-9(2,3)6-7-4-5-8-6/h4-5H,1-3H3
• InChIKey: VJCHUDDPWPQOLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(trimethylsilyl)-1,3-thiazole
• IUPAC Traditional name: 2-(trimethylsilyl)-1,3-thiazole
• Synonyms: 2-TST; 2-Thiazolyltrimethylsilane; 2-(Trimethylsilyl)thiazole; 2-(Trimethylsilyl)-1,3-thiazole; 2-(Trimethylsilyl)thiazole; 2-噻唑基三甲基硅烷; 2-(三甲基硅基)噻唑

Database IDs

• CAS Number: 79265-30-8
• MDL Number: MFCD00066274
• Beilstein Number: 3538017
• PubChem SID: 24889725; 24862221; 162030022
• PubChem CID: 588453

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8895972
• LogD (pH = 7.4): 2.8909824
• Log P: 2.891
• Molar Refractivity: 36.8033 cm^3
• Polarizability: 16.563862 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 53-55°C/10mm; 56-57 °C/10 mmHg(lit.)
• Flash Point: 143.6 °F; 57°C(135°F); 62 °C
• Density: 0.985; 0.985 g/mL at 25 °C(lit.)
• Refractive Index: 1.4970; n20/D 1.497(lit.); n20/D 1.498

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37-60; 26
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (GC); 95%; 96%; 97%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C6H11NSSi

DETAILS

Sigma Aldrich - 361410

Packaging
1, 5 mL in glass bottle

Sigma Aldrich - 92785

Other Notes
Starting material for the synthesis of 2-acylthiazoles1; Formyl anion equivalent in the diastereoselective addition to aldehydes2