tributyl[(tributylstannyl)sulfanyl]stannane

• ChemBase ID: 143059
• Molecular Formular: C24H54SSn2
• Molecular Mass: 612.15256
• Monoisotopic Mass: 614.19901073
• SMILES: CCCC[Sn](CCCC)(CCCC)S[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](S[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
• InChI: InChI=1S/6C4H9.S.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3
• InChIKey: BDIWFCKBPZPBQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl[(tributylstannyl)sulfanyl]stannane
• IUPAC Traditional name: distannathiane, hexabutyl-
• Synonyms: Bis(tributyltin)sulfide; 双(三丁基锡)硫醚

Database IDs

• CAS Number: 4808-30-4
• MDL Number: MFCD00048750
• PubChem SID: 162237282
• PubChem CID: 16682974

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 13.4043
• LogD (pH = 7.4): 13.4043
• Log P: 13.4043
• Molar Refractivity: 123.5112 cm^3
• Polarizability: 58.648315 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: 1.179 g/mL at 25 °C
• Refractive Index: n20/D 1.518

Safety Information

• UN Number: 2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• RID/ADR: UN 2788 6.1/PG 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C24H54SSn2

DETAILS

Sigma Aldrich - 720585

Packaging
1 g in glass bottle