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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:
409.07 g/mol
Names and Synonyms:
Fentin Acetate
Acetic acid, triphenylstannyl ester
Triphenyltin acetate
Stannane, (acetyloxy)triphenyl-
Stannane, acetoxytriphenyl-
GC 6936
ENT 25208
Fentin acetate
Lirostanol
Tin triphenyl acetate
TPTA
Triphenylaceto stannane
VP 19-40
Brestan 60
Liromatin
Brestan
Acetoxytriphenylstannane
Batasan
Phentin acetate
Suzu
Acetatotriphenylstannane
(Acetyloxy)triphenylstannane
Tinestan
Sunitron A
Brestanid
Betafen
NSC 76068
Identifiers:
SMILES:
CC(=O)[O-].[Sn+].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
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
Key Properties
Boiling Point
60 °C
CAS Common Chemistry
Melting Point
122-123 °C
CAS Common Chemistry
Density
1.55 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 409.07 g/mol | CAS Common Chemistry |
| 409.0730000000001 g/mol | RDKit | |
| 410.032874516 g/mol | RDKit | |
| Density | 1.55 g/cm³ | CAS Common Chemistry |
| 1.55 g/cm3 @ Temp: 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 |
| 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 |
| LogP | 2.835770000000001 | RDKit |
| Molar Refractivity | 92.26900000000005 | RDKit |
