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

• ChemBase ID: 143541
• Molecular Formular: C32H58S2Sn2
• Molecular Mass: 744.33492
• Monoisotopic Mass: 746.20238186
• SMILES: CCCC[Sn](CCCC)(CCCC)c1ccc(s1)c1ccc(s1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(s1)c1ccc(s1)[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
• InChI: InChI=1S/C8H4S2.6C4H9.2Sn/c1-3-7(9-5-1)8-4-2-6-10-8;6*1-3-4-2;;/h1-4H;6*1,3-4H2,2H3
• InChIKey: HCHJCBXNKUSQOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl({5-[5-(tributylstannyl)thiophen-2-yl]thiophen-2-yl})stannane
• IUPAC Traditional name: tributyl({5-[5-(tributylstannyl)thiophen-2-yl]thiophen-2-yl})stannane
• Synonyms: 5,5′-Bis(tributylstannyl)-2,2′-bithiophene; 5,5′-双(三丁基甲锡烷基)-2,2′-二噻吩

Database IDs

• CAS Number: 171290-94-1
• MDL Number: MFCD01319063
• PubChem SID: 162237759
• PubChem CID: 10533055

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.5794
• LogD (pH = 7.4): 8.5794
• Log P: 8.5794
• Molar Refractivity: 158.9578 cm^3
• Polarizability: 73.425835 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.217 g/mL at 25 °C

Safety Information

• UN Number: 2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H319-H400
• GHS Precautionary statements: P273-P280-P301 + P310-P305 + P351 + P338
• RID/ADR: UN 2788 6.1/PG 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C32H58S2Sn2

DETAILS

Sigma Aldrich - 717614

Packaging
1, 5 g in glass bottle