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Molecule
Bis(Tributyltin)
CAS: 813-19-4 · C24H54Sn2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 813-19-4
- Molecular Formula
- C24H54Sn2
- Molecular Mass
- 580.12 g/mol
Identifiers
CAS Registry Number
813-19-4
SMILES
[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn].[Sn]
InChI Key
REDSKZBUUUQMSK-UHFFFAOYSA-N
InChI
InChI=1S/6C4H9.2Sn/c6*1-3-4-2;;/h6*1,3-4H2,2H3;;
Names and Synonyms
- Bis(Tributyltin) Synonym
- Distannane, 1,1,1,2,2,2-hexabutyl- Synonym
- Distannane, hexabutyl- Synonym
- Tin, hexabutyldi- Synonym
- 1,1,1,2,2,2-Hexabutyldistannane Synonym
- Hexabutylditin Synonym
- Hexabutyldistannane Synonym
- Hexa-n-butyldistannane Synonym
- NSC 92633 Synonym
- Bis(tributyltin) Synonym
- Hexa-n-butylditin Synonym
- NSC 227367 Synonym
- NSC 65520 Synonym
- Tributylditin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 580.12 g/mol | CAS Common Chemistry |
| 580.1180000000002 g/mol | RDKit | |
| 582.226941128 g/mol | RDKit | |
| 584.148 g/mol | chempirical lib | |
| Density | 1.15 g/cm³ | CAS Common Chemistry |
| 1.148 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | CCCC[Sn](CCCC)(CCCC)[Sn](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/6C4H9.2Sn/c6*1-3-4-2;;/h6*1,3-4H2,2H3;; | CAS Common Chemistry |
| InChI Key | InChIKey=REDSKZBUUUQMSK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis(tributyltin) | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 8.961940000000004 | RDKit |
| 8.9619 | RDKit | |
| Molar Refractivity | 133.09800000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 580.118 g/mol | RDKit |
| Boiling Point | 197-198 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 580.12 g/mol; density = 1.150 g/mL. Edit any field — others recompute live.
