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2-Ethylhexyl 10-Ethyl-4,4-Dimethyl-7-Oxo-8-Oxa-3,5-Dithia-4-Stannatetradecanoate
CAS: 57583-35-4 | C22H44O4S2Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57583-35-4
Molecular Formula:
C22H44O4S2Sn
Molecular Mass:
555.44 g/mol
Names and Synonyms:
2-Ethylhexyl 10-Ethyl-4,4-Dimethyl-7-Oxo-8-Oxa-3,5-Dithia-4-Stannatetradecanoate
8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4,4-dimethyl-7-oxo-, 2-ethylhexyl ester
2-Ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate
Dimethyltin bis(2-ethylhexyl mercaptoacetate)
Dimethyltin bis(2-ethylhexyl thioglycolate)
DMTTG
Fomrez UL 54
DL 181
MT 181
SC 688
NX 128
Methyltin mercaptide
UL 54
TM 604ER
DX 181
DX 980
DX 960-3
TM 504ER
Identifiers:
SMILES:
CCCCC(CC)COC(=O)C[S-].CCCCC(CC)COC(=O)C[S-].[CH3].[CH3].[Sn+2]
InChI:
InChI=1S/2C10H20O2S.2CH3.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;;;/h2*9,13H,3-8H2,1-2H3;2*1H3;/q;;;;+2/p-2
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 | 555.44 g/mol | CAS Common Chemistry |
| 555.4350000000003 g/mol | RDKit | |
| 556.170296588 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(CC)CCCC)CS[Sn](SCC(=O)OCC(CC)CCCC)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C10H20O2S.2CH3.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;;;/h2*9,13H,3-8H2,1-2H3;2*1H3;/q;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=YAHBZWSDRFSFOO-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | 2-Ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 5.105580000000005 | RDKit |
| Molar Refractivity | 131.57600000000002 | RDKit |
