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

• ChemBase ID: 65195
• Molecular Formular: C16H31NOSSn
• Molecular Mass: 404.18944
• Monoisotopic Mass: 405.11482962
• SMILES: s1c(cnc1CO)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cnc(s1)CO)(CCCC)CCCC
• InChI: InChI=1S/C4H4NOS.3C4H9.Sn/c6-3-4-5-1-2-7-4;3*1-3-4-2;/h1,6H,3H2;3*1,3-4H2,2H3
• InChIKey: FMOOJVUQOVMBOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(tributylstannyl)-1,3-thiazol-2-yl]methanol
• IUPAC Traditional name: [5-(tributylstannyl)-1,3-thiazol-2-yl]methanol
• Synonyms: 2-Hydroxymethyl-5-(tributylstannyl)thiazole

Database IDs

• CAS Number: 1245816-28-7
• MDL Number: MFCD18325153
• PubChem SID: 162030934
• PubChem CID: 66521769

CALCULATED PROPERTIES

• Acid pKa: 13.633432
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8326163
• LogD (pH = 7.4): 2.8328962
• Log P: 2.8329
• Molar Refractivity: 84.4012 cm^3
• Polarizability: 38.074604 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: 94%