2-(2-(2-Hydroxyethoxy)ethoxy)ethyl 4-methylbenzenesulfonate

C₁₃H₂₀O₆SCAS 77544-68-4304.36 g/mol

Open in Covalent MOL file

Alcohol Ether Sulfonate ester

Properties

Molecular formula: C₁₃H₂₀O₆S
Molar mass: 304.36 g/mol
Exact mass: 304.0981 Da
logP: 0.73Crippen estimate
Polar surface area: 82.1 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 10

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

77544-68-4

SMILES

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

InChIKey

RSUCRUOTLCQWFX-UHFFFAOYSA-N

InChI

InChI=1S/C13H20O6S/c1-12-2-4-13(5-3-12)20(15,16)19-11-10-18-9-8-17-7-6-14/h2-5,14H,6-11H2,1H3

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Names and synonyms

1 names

Ethanol, 2-[2-(2-hydroxyethoxy)ethoxy]-, 1-(4-methylbenzenesulfonate)

Work with 2-(2-(2-Hydroxyethoxy)ethoxy)ethyl 4-methylbenzenesulfonate

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

2-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate77544-60-6100 % similar Triethylene glycol ditosylate19249-03-782 % similar 2,2′-Oxybis(ethyl tosylate)7460-82-482 % similar Ethylene glycol ditosylate6315-52-273 % similar Benzyl-PEG5-ots129086-10-864 % similar Tosylate of triethylene glycol monobenzyl ether84131-04-464 % similar 1,3-Propanediol ditosylate5469-66-964 % similar 2-Methoxyethyl p-toluenesulfonate17178-10-863 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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