5-bromo-2-(tert-butyldimethylsilyl)-1,3-thiazole

• ChemBase ID: 64474
• Molecular Formular: C9H16BrNSSi
• Molecular Mass: 278.28454
• Monoisotopic Mass: 276.99560905
• SMILES: c1(sc(cn1)Br)[Si](C(C)(C)C)(C)C
• Canonical SMILES: CC([Si](c1ncc(s1)Br)(C)C)(C)C
• InChI: InChI=1S/C9H16BrNSSi/c1-9(2,3)13(4,5)8-11-6-7(10)12-8/h6H,1-5H3
• InChIKey: BGLPSYCSWHSYBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(tert-butyldimethylsilyl)-1,3-thiazole
• IUPAC Traditional name: 5-bromo-2-(tert-butyldimethylsilyl)-1,3-thiazole
• Synonyms: 5-Bromo-2-(tert-butyldimethylsilyl)thiazole

Database IDs

• CAS Number: 1092351-70-6
• MDL Number: MFCD11109381
• PubChem SID: 162030213
• PubChem CID: 44118241

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1184855
• LogD (pH = 7.4): 4.1185985
• Log P: 4.1186
• Molar Refractivity: 57.5392 cm^3
• Polarizability: 24.950403 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%