4-(tributylstannyl)-1,3-thiazole

• ChemBase ID: 64144
• Molecular Formular: C15H29NSSn
• Molecular Mass: 374.16346
• Monoisotopic Mass: 375.10426493
• SMILES: c1(ncsc1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ncsc1)(CCCC)CCCC
• InChI: InChI=1S/3C4H9.C3H2NS.Sn/c3*1-3-4-2;1-2-5-3-4-1;/h3*1,3-4H2,2H3;2-3H
• InChIKey: YYQKQPYPLADFMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tributylstannyl)-1,3-thiazole
• IUPAC Traditional name: 4-(tributylstannyl)-1,3-thiazole
• Synonyms: (1,3-Thiazol-4-yl)tributylstannane; 4-(Tributylstannyl)-1,3-thiazole; 4-(Tributylstannyl)thiazole

Database IDs

• CAS Number: 173979-01-6
• MDL Number: MFCD01319073
• PubChem SID: 162029883
• PubChem CID: 2763258

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.173544
• LogD (pH = 7.4): 4.1797204
• Log P: 4.1798
• Molar Refractivity: 79.4119 cm^3
• Polarizability: 35.577583 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 94%