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Ethylene Glycol Ditosylate
CAS: 6315-52-2 | C16H18O6S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6315-52-2
Molecular Formula:
C16H18O6S2
Molecular Mass:
370.45 g/mol
Names and Synonyms:
Ethylene Glycol Ditosylate
1,2-Ethanediol, 1,2-bis(4-methylbenzenesulfonate)
Ethylene glycol, di-p-toluenesulfonate
1,2-Ethanediol, bis(4-methylbenzenesulfonate)
Di-O-tosylglycol
Ethylene di-p-toluenesulfonate
Ethylene glycol ditosylate
Ethylene glycol ditoluenesulfonate
1,2-Ethylene ditosylate
Ethylene glycol bis(p-toluenesulfonate)
1,2-Bis(p-tolylsulfonyloxy)ethane
Ethylene glycol di-p-tosylate
1,2-Bistosyloxy ethane
1,2-Di(tosyloxy)ethane
1,2-Bis(p-toluenesulfonyloxy)ethane
1,2-Ethanediol ditosylate
Ethylene 1,2-bis(tosylate)
1,2-Bis(4-methylbenzenesulfonyloxy)ethane
NSC 21094
1,2-Di(p-tosyloxy)ethane
Ethylene glycol 1,2-ditosylate
Ethane-1,2-diyl bis(4-methylbenzenesulfonate)
2-(4-Methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate
Identifiers:
SMILES:
Cc1ccc(S(=O)(=O)OCCOS(=O)(=O)c2ccc(C)cc2)cc1
InChI:
InChI=1S/C16H18O6S2/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
Key Properties
Melting Point
120-121 °C
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 | 370.45 g/mol | CAS Common Chemistry |
| 370.44800000000004 g/mol | RDKit | |
| 370.054480296 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(OCCOS(=O)(=O)C1=CC=C(C=C1)C)C2=CC=C(C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H18O6S2/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LZIPBJBQQPZLOR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120-121 °C | CAS Common Chemistry |
| Name | Ethylene glycol ditosylate | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 86.74000000000001 Ų | RDKit |
| LogP | 2.4142400000000004 | RDKit |
| Molar Refractivity | 88.63360000000004 | RDKit |
