2-[5-(tributylstannyl)-1,3-thiazol-2-yl]propan-2-ol

• ChemBase ID: 65123
• Molecular Formular: C18H35NOSSn
• Molecular Mass: 432.2426
• Monoisotopic Mass: 433.14612975
• SMILES: s1c(C(O)(C)C)ncc1[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cnc(s1)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;/h3,8H,1-2H3;3*1,3-4H2,2H3
• InChIKey: ZAODTINPWPONIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[5-(tributylstannyl)-1,3-thiazol-2-yl]propan-2-ol
• IUPAC Traditional name: 2-[5-(tributylstannyl)-1,3-thiazol-2-yl]propan-2-ol
• Synonyms: 2-(5-(Tributylstannyl)thiazol-2-yl)propan-2-ol

Database IDs

• CAS Number: 1245816-17-4
• MDL Number: MFCD16140395
• PubChem SID: 162030862
• PubChem CID: 46840025

CALCULATED PROPERTIES

• Acid pKa: 13.439234
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5727887
• LogD (pH = 7.4): 3.5729969
• Log P: 3.573
• Molar Refractivity: 93.6084 cm^3
• Polarizability: 41.727566 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%