2-(tert-butyldimethylsilyl)-4-methyl-1,3-thiazole

• ChemBase ID: 65153
• Molecular Formular: C10H19NSSi
• Molecular Mass: 213.41506
• Monoisotopic Mass: 213.10074715
• SMILES: s1cc(nc1[Si](C)(C)C(C)(C)C)C
• Canonical SMILES: Cc1csc(n1)[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C10H19NSSi/c1-8-7-12-9(11-8)13(5,6)10(2,3)4/h7H,1-6H3
• InChIKey: OHCKALFODDMEQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tert-butyldimethylsilyl)-4-methyl-1,3-thiazole
• IUPAC Traditional name: 2-(tert-butyldimethylsilyl)-4-methyl-1,3-thiazole
• Synonyms: 2-(tert-Butyldimethylsilyl)-4-methylthiazole

Database IDs

• CAS Number: 1245782-58-4
• MDL Number: MFCD17015006
• PubChem SID: 162030892
• PubChem CID: 46839932

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5718963
• LogD (pH = 7.4): 3.5728874
• Log P: 3.5729
• Molar Refractivity: 55.348 cm^3
• Polarizability: 23.837221 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