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Molecule
Fentin Acetate
CAS: 900-95-8 · C20H18O2Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 900-95-8
- Molecular Formula
- C20H18O2Sn
- Molecular Mass
- 409.0730000000001 g/mol
Identifiers
CAS Registry Number
900-95-8
SMILES
CC(=O)[O-].[Sn+].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChI Key
WDQNIWFZKXZFAY-UHFFFAOYSA-M
InChI
InChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1
Names and Synonyms
- Fentin Acetate Synonym
- Acetic acid, triphenylstannyl ester Synonym
- Triphenyltin acetate Synonym
- Stannane, (acetyloxy)triphenyl- Synonym
- Stannane, acetoxytriphenyl- Synonym
- GC 6936 Synonym
- ENT 25208 Synonym
- Fentin acetate Synonym
- Lirostanol Synonym
- Tin triphenyl acetate Synonym
- TPTA Synonym
- Triphenylaceto stannane Synonym
- VP 19-40 Synonym
- Brestan 60 Synonym
- Liromatin Synonym
- Brestan Synonym
- Acetoxytriphenylstannane Synonym
- Batasan Synonym
- Phentin acetate Synonym
- Suzu Synonym
- Acetatotriphenylstannane Synonym
- (Acetyloxy)triphenylstannane Synonym
- Tinestan Synonym
- Sunitron A Synonym
- Brestanid Synonym
- Betafen Synonym
- NSC 76068 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.55 g/cm³ | CAS Common Chemistry |
| 1.55 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fentin_acetate | CAS Common Chemistry |
| Boiling Point | 60 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O[Sn](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)C | CAS Common Chemistry |
| InChI | InChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=WDQNIWFZKXZFAY-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 122-123 °C | CAS Common Chemistry |
| Name | Fentin acetate | CAS Common Chemistry |
| Molecular Mass | 409.0730000000001 g/mol | RDKit |
| 410.032874516 g/mol | RDKit | |
| 409.073 g/mol | RDKit | |
| 415.12 g/mol | chempirical lib | |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 40.129999999999995 Ų | RDKit |
| 40.13 Ų | RDKit | |
| LogP | 2.835770000000001 | RDKit |
| 2.8358 | RDKit | |
| Molar Refractivity | 92.26900000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.05 | RDKit |
| Exact Mass | 409.07 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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 = 409.07 g/mol; density = 1.550 g/mL. Edit any field — others recompute live.
