5-(tributylstannyl)-1,3-thiazole

• ChemBase ID: 64143
• Molecular Formular: C15H29NSSn
• Molecular Mass: 374.16346
• Monoisotopic Mass: 375.10426493
• SMILES: c1(scnc1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1scnc1)(CCCC)CCCC
• InChI: InChI=1S/3C4H9.C3H2NS.Sn/c3*1-3-4-2;1-2-5-3-4-1;/h3*1,3-4H2,2H3;1,3H
• InChIKey: GOWNSHUNTJWVOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(tributylstannyl)-1,3-thiazole
• IUPAC Traditional name: 5-(tributylstannyl)-1,3-thiazole
• Synonyms: (1,3-Thiazol-5-yl)tributylstannane; 5-(Tributylstannyl)-1,3-thiazole; 5-(Tributylstannyl)thiazole; tributyl(thiazol-5-yl)stannane

Database IDs

• CAS Number: 157025-33-7
• MDL Number: MFCD01319074
• PubChem SID: 162029882
• PubChem CID: 2763257

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.404115
• LogD (pH = 7.4): 3.40568
• Log P: 3.4057
• Molar Refractivity: 78.2583 cm^3
• Polarizability: 35.57577 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 93%; 97%