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

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 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 Propyl 4-methylbenzenesulfonate599-91-754 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook