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

• ChemBase ID: 64233
• Molecular Formular: C16H31NSSn
• Molecular Mass: 388.19004
• Monoisotopic Mass: 389.119915
• SMILES: c1(nc(cs1)C)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1scc(n1)C)(CCCC)CCCC
• InChI: InChI=1S/C4H4NS.3C4H9.Sn/c1-4-2-6-3-5-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3
• InChIKey: PZPGNMUMILSRSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(tributylstannyl)-1,3-thiazole
• IUPAC Traditional name: 4-methyl-2-(tributylstannyl)-1,3-thiazole
• Synonyms: 4-Methyl-2-(tributylstannyl)-1,3-thiazole; tributyl(4-methyl-1,3-thiazol-2-yl)stannane; 4-Methyl-2-(tributylstannyl)thiazole

Database IDs

• CAS Number: 251635-59-3
• MDL Number: MFCD09025808
• PubChem SID: 162029972
• PubChem CID: 16427130

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.5556
• LogD (pH = 7.4): 4.561228
• Log P: 4.5613
• Molar Refractivity: 83.1632 cm^3
• Polarizability: 37.322792 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/Corrosive/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 90%; 94%; 98%