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

• ChemBase ID: 65125
• Molecular Formular: C16H31NSSn
• Molecular Mass: 388.19004
• Monoisotopic Mass: 389.119915
• SMILES: s1c(cnc1C)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cnc(s1)C)(CCCC)CCCC
• InChI: InChI=1S/C4H4NS.3C4H9.Sn/c1-4-5-2-3-6-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3
• InChIKey: QBVDGHNBPOLJIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-(tributylstannyl)-1,3-thiazole
• IUPAC Traditional name: 2-methyl-5-(tributylstannyl)-1,3-thiazole
• Synonyms: 2-Methyl-5-(tributylstannyl)thiazole

Database IDs

• CAS Number: 223418-75-5
• MDL Number: MFCD01319032
• PubChem SID: 162030864
• PubChem CID: 46840005

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6764815
• LogD (pH = 7.4): 3.6883464
• Log P: 3.6885
• Molar Refractivity: 82.699 cm^3
• Polarizability: 37.32576 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 96%