2-ethoxy-5-(tributylstannyl)-1,3-thiazole

• ChemBase ID: 64221
• Molecular Formular: C17H33NOSSn
• Molecular Mass: 418.21602
• Monoisotopic Mass: 419.13047968
• SMILES: s1c(cnc1OCC)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cnc(s1)OCC)(CCCC)CCCC
• InChI: InChI=1S/C5H6NOS.3C4H9.Sn/c1-2-7-5-6-3-4-8-5;3*1-3-4-2;/h3H,2H2,1H3;3*1,3-4H2,2H3
• InChIKey: HKTFMFBUSSUPGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-5-(tributylstannyl)-1,3-thiazole
• IUPAC Traditional name: 2-ethoxy-5-(tributylstannyl)-1,3-thiazole
• Synonyms: (2-Ethoxy-1,3-thiazol-5-yl)tributylstannane; 2-Ethoxy-5-(tributylstannyl)-1,3-thiazole, tech; 2-Ethoxy-5-(tributylstannyl)thiazole

Database IDs

• CAS Number: 446285-61-6
• MDL Number: MFCD09025788
• PubChem SID: 162029960
• PubChem CID: 16427118

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.40499
• LogD (pH = 7.4): 4.4049997
• Log P: 4.405
• Molar Refractivity: 88.9434 cm^3
• Polarizability: 39.96787 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%