4,5-dimethyl-2-(tributylstannyl)-1,3-thiazole

• ChemBase ID: 63895
• Molecular Formular: C17H33NSSn
• Molecular Mass: 402.21662
• Monoisotopic Mass: 403.13556506
• SMILES: c1(nc(c(s1)C)C)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1sc(c(n1)C)C)(CCCC)CCCC
• InChI: InChI=1S/C5H6NS.3C4H9.Sn/c1-4-5(2)7-3-6-4;3*1-3-4-2;/h1-2H3;3*1,3-4H2,2H3
• InChIKey: QAPTXJNMSZQTDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dimethyl-2-(tributylstannyl)-1,3-thiazole
• IUPAC Traditional name: 4,5-dimethyl-2-(tributylstannyl)-1,3-thiazole
• Synonyms: 4,5-Dimethyl-2-(tributylstannyl)thiazole; (4,5-Dimethyl-1,3-thiazol-2-yl)tributylstannane; 4,5-Dimethyl-2-(tributylstannyl)-1,3-thiazole

Database IDs

• CAS Number: 938181-92-1
• MDL Number: MFCD09265485
• PubChem SID: 162029634
• PubChem CID: 16427140

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.1600547
• LogD (pH = 7.4): 5.1814203
• Log P: 5.1817
• Molar Refractivity: 88.2195 cm^3
• Polarizability: 39.074997 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Toxic/Irritant/Moisture Sensitive/Store under Argon/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 94%