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

• ChemBase ID: 71233
• Molecular Formular: C18H37NSSiSn
• Molecular Mass: 446.34458
• Monoisotopic Mass: 447.14379172
• SMILES: C[Si](C)(C)c1nc(cs1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1csc(n1)[Si](C)(C)C)(CCCC)CCCC
• InChI: InChI=1S/C6H10NSSi.3C4H9.Sn/c1-9(2,3)6-7-4-5-8-6;3*1-3-4-2;/h5H,1-3H3;3*1,3-4H2,2H3
• InChIKey: WNNGESKFUIMQQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tributylstannyl)-2-(trimethylsilyl)-1,3-thiazole
• IUPAC Traditional name: 4-(tributylstannyl)-2-(trimethylsilyl)-1,3-thiazole
• Synonyms: 4-(Tributylstannyl)-2-(trimethylsilyl)thiazole

Database IDs

• CAS Number: 252562-80-4
• MDL Number: MFCD01319064
• PubChem SID: 162036823
• PubChem CID: 22316680

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.664715
• LogD (pH = 7.4): 6.6737833
• Log P: 6.6739
• Molar Refractivity: 94.9488 cm^3
• Polarizability: 44.00778 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 85+%