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(S)-Glycidyl Tosylate
CAS: 70987-78-9 | C10H12O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
70987-78-9
Molecular Formula:
C10H12O4S
Molecular Mass:
228.27 g/mol
Names and Synonyms:
(S)-Glycidyl Tosylate
2-Oxiranemethanol, 2-(4-methylbenzenesulfonate), (2S)-
Oxiranemethanol, 4-methylbenzenesulfonate, (S)-
Oxiranemethanol, 4-methylbenzenesulfonate, (2S)-
(S)-Glycidyl tosylate
(+)-Glycidyl tosylate
(2S)-(+)-Glycidyl tosylate
(S)-Glycidol tosylate
2(S)-Glycidyl tosylate
(2S)-Oxiranemethanol 4-methylbenzenesulfonate
(S)-(+)-Glycidyl 4-methylbenzenesulfonate
Toluene-4-sulfonic acid (S)-oxiranylmethyl ester
(S)-(2,3-Epoxypropan-1-yl) 4-methylbenzenesulfonate
(S)-(+)-Glycidyl tosylate
(S)-Oxiranylmethyl toluene-4-sulfonate
(S)-Toluene-4-sulfonic acid oxiranylmethyl ester
(S)-Glycidyl p-toluenesulfonate
(2S)-Glycidyl toslyate
[(2S)-Oxiran-2-yl]methyl 4-methylbenzenesulfonate
[(2S)-Oxiran-2-yl]methyl 4-methylbenzene-1-sulfonate
Identifiers:
SMILES:
Cc1ccc(S(=O)(=O)OC[C@@H]2CO2)cc1
InChI:
InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-7-9-6-13-9/h2-5,9H,6-7H2,1H3/t9-/m0/s1
Key Properties
Melting Point
46.0-48.5 °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 | 228.27 g/mol | CAS Common Chemistry |
| 228.26899999999998 g/mol | RDKit | |
| 228.045629864 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(OCC1OC1)C2=CC=C(C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-7-9-6-13-9/h2-5,9H,6-7H2,1H3/t9-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NOQXXYIGRPAZJC-VIFPVBQESA-N | CAS Common Chemistry |
| Melting Point | 46.0-48.5 °C | CAS Common Chemistry |
| Name | (S)-Glycidyl tosylate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 55.900000000000006 Ų | RDKit |
| LogP | 1.09912 | RDKit |
| Molar Refractivity | 54.05680000000003 | RDKit |
