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

• ChemBase ID: 64406
• Molecular Formular: C9H17NSSi
• Molecular Mass: 199.38848
• Monoisotopic Mass: 199.08509708
• SMILES: c1([Si](C(C)(C)C)(C)C)nccs1
• Canonical SMILES: C[Si](C(C)(C)C)(c1nccs1)C
• InChI: InChI=1S/C9H17NSSi/c1-9(2,3)12(4,5)8-10-6-7-11-8/h6-7H,1-5H3
• InChIKey: DKQFKRXPJSBPOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 137382-38-8
• MDL Number: MFCD10699169
• PubChem SID: 162030145
• PubChem CID: 10465374

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4009445
• LogD (pH = 7.4): 3.402283
• Log P: 3.4023
• Molar Refractivity: 50.7565 cm^3
• Polarizability: 22.08021 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: 98%