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Molecule
(S)-Glycidyl Tosylate
CAS: 70987-78-9 · C10H12O4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 70987-78-9
- Molecular Formula
- C10H12O4S
- Molecular Mass
- 228.27 g/mol
Identifiers
CAS Registry Number
70987-78-9
SMILES
Cc1ccc(S(=O)(=O)OC[C@@H]2CO2)cc1
InChI Key
NOQXXYIGRPAZJC-VIFPVBQESA-N
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
Names and Synonyms
- (S)-Glycidyl Tosylate Synonym
- 2-Oxiranemethanol, 2-(4-methylbenzenesulfonate), (2S)- Synonym
- Oxiranemethanol, 4-methylbenzenesulfonate, (S)- Synonym
- Oxiranemethanol, 4-methylbenzenesulfonate, (2S)- Synonym
- (S)-Glycidyl tosylate Synonym
- (+)-Glycidyl tosylate Synonym
- (2S)-(+)-Glycidyl tosylate Synonym
- (S)-Glycidol tosylate Synonym
- 2(S)-Glycidyl tosylate Synonym
- (2S)-Oxiranemethanol 4-methylbenzenesulfonate Synonym
- (S)-(+)-Glycidyl 4-methylbenzenesulfonate Synonym
- Toluene-4-sulfonic acid (S)-oxiranylmethyl ester Synonym
- (S)-(2,3-Epoxypropan-1-yl) 4-methylbenzenesulfonate Synonym
- (S)-(+)-Glycidyl tosylate Synonym
- (S)-Oxiranylmethyl toluene-4-sulfonate Synonym
- (S)-Toluene-4-sulfonic acid oxiranylmethyl ester Synonym
- (S)-Glycidyl p-toluenesulfonate Synonym
- (2S)-Glycidyl toslyate Synonym
- [(2S)-Oxiran-2-yl]methyl 4-methylbenzenesulfonate Synonym
- [(2S)-Oxiran-2-yl]methyl 4-methylbenzene-1-sulfonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.27 g/mol | CAS Common Chemistry |
| 228.26899999999998 g/mol | RDKit | |
| 228.269 g/mol | RDKit | |
| 228.262 g/mol | chempirical lib | |
| 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 |
| 55.9 Ų | RDKit | |
| LogP | 1.09912 | RDKit |
| 1.0991 | RDKit | |
| Molar Refractivity | 54.05680000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 228.045629864 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 228.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12O4S.
