5-(trimethylsilyl)-1,3-thiazole

• ChemBase ID: 64477
• Molecular Formular: C6H11NSSi
• Molecular Mass: 157.30874
• Monoisotopic Mass: 157.03814689
• SMILES: c1(scnc1)[Si](C)(C)C
• Canonical SMILES: C[Si](c1scnc1)(C)C
• InChI: InChI=1S/C6H11NSSi/c1-9(2,3)6-4-7-5-8-6/h4-5H,1-3H3
• InChIKey: BFCGWRVEKWHDGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(trimethylsilyl)-1,3-thiazole
• IUPAC Traditional name: 5-(trimethylsilyl)-1,3-thiazole
• Synonyms: 5-Trimethylsilylthiazole; 5-(TriMethylsilyl)thiazole

Database IDs

• CAS Number: 79265-36-4
• MDL Number: MFCD00191506
• PubChem SID: 162030216
• PubChem CID: 2760867

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9052883
• LogD (pH = 7.4): 1.9059911
• Log P: 1.906
• Molar Refractivity: 36.4899 cm^3
• Polarizability: 16.563942 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%