4-bromo-2-(trimethylsilyl)-1,3-thiazole

• ChemBase ID: 64370
• Molecular Formular: C6H10BrNSSi
• Molecular Mass: 236.2048
• Monoisotopic Mass: 234.94865886
• SMILES: n1c(scc1Br)[Si](C)(C)C
• Canonical SMILES: Brc1csc(n1)[Si](C)(C)C
• InChI: InChI=1S/C6H10BrNSSi/c1-10(2,3)6-8-5(7)4-9-6/h4H,1-3H3
• InChIKey: WLQGXFSBIGJXDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-(trimethylsilyl)-1,3-thiazole
• IUPAC Traditional name: 4-bromo-2-(trimethylsilyl)-1,3-thiazole
• Synonyms: 4-Bromo-2-trimethylsilylthiazole; (4-Bromo-1,3-thiazol-2-yl)trimethylsilane; 4-Bromo-2-(trimethylsilyl)-1,3-thiazole; 4-Bromo-2-(trimethylsilyl)thiazole; 4-BROMO-2-(TRIMETHYLSILYL)THIAZOLE; 4-溴-2-(三甲基硅基)噻唑

Database IDs

• CAS Number: 108306-53-2
• MDL Number: MFCD01319107
• PubChem SID: 162030109
• PubChem CID: 4340399

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0802884
• LogD (pH = 7.4): 4.0803
• Log P: 4.0803
• Molar Refractivity: 45.2683 cm^3
• Polarizability: 19.534319 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 179.6 °F; 82 °C; 82.2°C
• Density: 1.384; 1.384 g/mL at 25 °C

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive/Keep Cold
• German water hazard class: 1
• TSCA Listed: false

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C6H10BrNSSi

DETAILS

Sigma Aldrich - 717029

Packaging
1 g in glass bottle