Oxetan-3-yl 4-methylbenzene-1-sulfonate

C₁₀H₁₂O₄SCAS 26272-83-3228.26 g/mol

Open in Covalent MOL file

Ether Sulfonate ester

Properties

Molecular formula: C₁₀H₁₂O₄S
Molar mass: 228.26 g/mol
Exact mass: 228.0456 Da
logP: 1.10Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

26272-83-3

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2COC2

InChIKey

UMFWNFVHKAJOSE-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-9-6-13-7-9/h2-5,9H,6-7H2,1H3

Weigh it out

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

Names and synonyms

1 names

Toluene-4-sulfonic acid oxetan-3-yl ester

Work with Oxetan-3-yl 4-methylbenzene-1-sulfonate

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

Similar compounds

(R)-3-(P-Toluenesulfonyl) oxytetrahydrofuran219823-47-977 % similar Propane-1,2-diyl bis(4-methylbenzene-1-sulfonate)60434-71-161 % similar p-Toluenesulfonic anhydride4124-41-856 % similar Ethylene glycol ditosylate6315-52-256 % similar Triethylene glycol ditosylate19249-03-756 % similar 2,2′-Oxybis(ethyl tosylate)7460-82-456 % similar 1,1,1,3,3,3-Hexafluoropropan-2-yl p-toluenesulfonate67674-48-055 % similar Butyl p-toluenesulfonate778-28-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-Glycidyl tosylate113826-06-5 (S)-Glycidyl tosylate70987-78-9 Ethyl phenylsulfonylacetate7605-30-3 2-(3,4-Dimethoxyphenylthio)acetic acid95735-63-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook