5-methyl-2-(tributylstannyl)-1,3-thiazole

• ChemBase ID: 64234
• Molecular Formular: C16H31NSSn
• Molecular Mass: 388.19004
• Monoisotopic Mass: 389.119915
• SMILES: c1(ncc(s1)C)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ncc(s1)C)(CCCC)CCCC
• InChI: InChI=1S/C4H4NS.3C4H9.Sn/c1-4-2-5-3-6-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3
• InChIKey: LALGELPHLJBAEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-(tributylstannyl)-1,3-thiazole
• IUPAC Traditional name: 5-methyl-2-(tributylstannyl)-1,3-thiazole
• Synonyms: 5-Methyl-2-(tributylstannyl)-1,3-thiazole; 5-Methyl-2-(tributylstannyl)thiazole; 2-(Tri-n-butylstannyl)-5-methylthiazole; 5-Methyl-2-(tri-n-butylstannyl)thiazole; 5-甲基-2-(三正丁基锡)噻唑

Database IDs

• CAS Number: 848613-91-2
• MDL Number: MFCD09025809
• PubChem SID: 162029973
• PubChem CID: 16427131

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.980485
• LogD (pH = 7.4): 5.0106993
• Log P: 5.0111
• Molar Refractivity: 83.628 cm^3
• Polarizability: 37.32613 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
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN2788
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 36/37/39-45-60-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H301-H312-H315-H319-H372-H400-H410
• GHS Precautionary statements: P280-P273-P309-P310-P501A

Product Information

• Purity: 90+%; 95%; 98%