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

• ChemBase ID: 64148
• Molecular Formular: C16H31NOSSn
• Molecular Mass: 404.18944
• Monoisotopic Mass: 405.11482962
• SMILES: n1c(csc1OC)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1csc(n1)OC)(CCCC)CCCC
• InChI: InChI=1S/C4H4NOS.3C4H9.Sn/c1-6-4-5-2-3-7-4;3*1-3-4-2;/h3H,1H3;3*1,3-4H2,2H3
• InChIKey: JCZRGWAGRPABLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-(tributylstannyl)-1,3-thiazole
• IUPAC Traditional name: 2-methoxy-4-(tributylstannyl)-1,3-thiazole
• Synonyms: 2-Methoxy-4-(tributylstannyl)-1,3-thiazole; 2-Methoxy-4-(tributylstannyl)thiazole

Database IDs

• CAS Number: 927391-09-1
• MDL Number: MFCD07787372
• PubChem SID: 162029887
• PubChem CID: 2763264

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.8365736
• LogD (pH = 7.4): 4.8366
• Log P: 4.8366
• Molar Refractivity: 85.3484 cm^3
• Polarizability: 38.143616 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful/Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 96%