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

• ChemBase ID: 64149
• Molecular Formular: C17H33NOSSn
• Molecular Mass: 418.21602
• Monoisotopic Mass: 419.13047968
• SMILES: n1c(csc1OCC)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1csc(n1)OCC)(CCCC)CCCC
• InChI: InChI=1S/C5H6NOS.3C4H9.Sn/c1-2-7-5-6-3-4-8-5;3*1-3-4-2;/h4H,2H2,1H3;3*1,3-4H2,2H3
• InChIKey: NBICALVSSSYBKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-4-(tributylstannyl)-1,3-thiazole
• IUPAC Traditional name: 2-ethoxy-4-(tributylstannyl)-1,3-thiazole
• Synonyms: 2-Ethoxy-4-(tributylstannyl)-1,3-thiazole; 2-Ethoxy-4-(tributylstannyl)thiazole

Database IDs

• CAS Number: 240816-28-8
• MDL Number: MFCD07787373
• PubChem SID: 162029888
• PubChem CID: 2763265

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.179075
• LogD (pH = 7.4): 5.1790996
• Log P: 5.1791
• Molar Refractivity: 90.097 cm^3
• Polarizability: 39.969646 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Purity: 96%