tributyl[5-(tributylstannyl)thiophen-2-yl]stannane

• ChemBase ID: 142890
• Molecular Formular: C28H56SSn2
• Molecular Mass: 662.21124
• Monoisotopic Mass: 664.21466079
• SMILES: CCCC[Sn](CCCC)(CCCC)c1ccc(s1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(s1)[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
• InChI: InChI=1S/C4H2S.6C4H9.2Sn/c1-2-4-5-3-1;6*1-3-4-2;;/h1-2H;6*1,3-4H2,2H3
• InChIKey: ITAZQNRIMIQTDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl[5-(tributylstannyl)thiophen-2-yl]stannane
• IUPAC Traditional name: tributyl[5-(tributylstannyl)thiophen-2-yl]stannane
• Synonyms: 2,5-Bis(tributylstannyl)thiophene; 2,5-双(三丁基甲锡烷基)噻吩

Database IDs

• CAS Number: 145483-63-2
• MDL Number: MFCD13193232
• PubChem SID: 162237116
• PubChem CID: 15210333

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.7336
• LogD (pH = 7.4): 7.7336
• Log P: 7.7336
• Molar Refractivity: 137.1476 cm^3
• Polarizability: 63.861176 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.201 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 2788
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• RID/ADR: UN 2788 6.1/PG 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C28H56SSn2

DETAILS

Sigma Aldrich - 717703

Packaging
1, 5 g in glass bottle