2-[4-(tributylstannyl)-1,3-thiazol-2-yl]propan-2-ol

• ChemBase ID: 65118
• Molecular Formular: C18H35NOSSn
• Molecular Mass: 432.2426
• Monoisotopic Mass: 433.14612975
• SMILES: s1cc(nc1C(C)(C)O)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1csc(n1)C(O)(C)C)(CCCC)CCCC
• InChI: InChI=1S/C6H8NOS.3C4H9.Sn/c1-6(2,8)5-7-3-4-9-5;3*1-3-4-2;/h4,8H,1-2H3;3*1,3-4H2,2H3
• InChIKey: WJUIBBUNTDEGNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(tributylstannyl)-1,3-thiazol-2-yl]propan-2-ol
• IUPAC Traditional name: 2-[4-(tributylstannyl)-1,3-thiazol-2-yl]propan-2-ol
• Synonyms: 2-(4-(Tributylstannyl)thiazol-2-yl)propan-2-ol

Database IDs

• CAS Number: 1245816-16-3
• MDL Number: MFCD16140388
• PubChem SID: 162030857
• PubChem CID: 46840024

CALCULATED PROPERTIES

• Acid pKa: 13.414387
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.346539
• LogD (pH = 7.4): 4.3470926
• Log P: 4.3471
• Molar Refractivity: 94.762 cm^3
• Polarizability: 41.729385 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%