(S)-Glycidyl tosylate

C₁₀H₁₂O₄SCAS 70987-78-9228.26 g/mol

Open in Covalent MOL file

Epoxide Ether Sulfonate ester

Properties

Molecular formula: C₁₀H₁₂O₄S
Molar mass: 228.26 g/mol
Exact mass: 228.0456 Da
Melting point: 46–48.5 °C
logP: 1.10Crippen estimate
Polar surface area: 55.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Danger

H317 May cause an allergic skin reactionSensitization, Skin
H318 Causes serious eye damageSerious eye damage/eye irritation
H341 Suspected of causing genetic defectsGerm cell mutagenicity
H350 May cause cancerCarcinogenicity
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 607-411-00-X), via PubChem.

Precautionary statements

P203, P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P318, P321, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

70987-78-9

SMILES

Cc1ccc(S(=O)(=O)OC[C@@H]2CO2)cc1

InChIKey

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all

2-Oxiranemethanol, 2-(4-methylbenzenesulfonate), (2S)-
Oxiranemethanol, 4-methylbenzenesulfonate, (S)-
Oxiranemethanol, 4-methylbenzenesulfonate, (2S)-
(+)-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

Work with (S)-Glycidyl tosylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-Glycidyl tosylate113826-06-5Enantiomer

Similar compounds

(S)-2,2-Dimethyl-1,3-dioxolane-4-methanol P-toluenesulfonate23735-43-565 % similar (R)-(-)-2,2-Dimethyl-1,3-dioxolan-4-ylmethyl P-toluenesulfonate23788-74-165 % similar Ethylene glycol ditosylate6315-52-264 % similar Propane-1,2-diyl bis(4-methylbenzene-1-sulfonate)60434-71-163 % similar Propyl 4-methylbenzenesulfonate599-91-761 % similar (4S-Trans)-2,2-Dimethyl-4,5-bis[(4-methylphenylsulfonyloxy)methyl]-1,3-dioxolane37002-45-260 % similar (R)-Glycerol 1-(P-toluenesulfonate)41274-09-360 % similar (4R,5R)-4,5-Bis[[[(4-methylphenyl)sulfonyl]oxy]methyl]-2,2-dimethyl-[1,3]dioxolane51064-65-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Oxetan-3-yl 4-methylbenzene-1-sulfonate26272-83-3 Ethyl phenylsulfonylacetate7605-30-3 2-(3,4-Dimethoxyphenylthio)acetic acid95735-63-0

Elsewhere

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