chempirical

2-Methoxyethyl P-toluenesulfonate

C10H14O4SCAS 17178-10-8230.28 g/mol

Open in Covalent MOL file
OOSOO
EtherSulfonate ester

Properties

Molecular formula
C10H14O4S
Molar mass
230.28 g/mol
Exact mass
230.0613 Da
Boiling point
110–117 °C (at 0.075 Torr)
logP
1.35Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Identifiers

CAS number
17178-10-8
SMILES
COCCOS(=O)(=O)c1ccc(C)cc1
InChIKey
TZXJJSAQSRHKCZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O4S/c1-9-3-5-10(6-4-9)15(11,12)14-8-7-13-2/h3-6H,7-8H2,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Ethanol, 2-methoxy-, 1-(4-methylbenzenesulfonate)
  • Ethanol, 2-methoxy-, p-toluenesulfonate
  • Ethanol, 2-methoxy-, 4-methylbenzenesulfonate
  • p-Toluenesulfonic acid β-methoxyethyl ester
  • β-Methoxyethyl p-toluenesulfonate
  • 2-Methoxyethyl tosylate
  • 2-Methoxyethanol tosylate
  • 3-Oxabutyl tosylate
  • p-Toluenesulfonic acid 2-methoxyethyl ester
  • 2-Methoxyethyl toluenesulfonate
  • Ethylene glycol methyl ether tosylate
  • 2-Methoxyethyl p-tolylsulfonyloxy ester
  • 2-Methoxyethyl 4-methylbenzenesulfonate
  • 4-Toluenesulfonic acid 2-methoxyethyl ester

Work with 2-Methoxyethyl P-toluenesulfonate

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

Ethylene glycol ditosylate6315-52-283 % similar Triethylene glycol ditosylate19249-03-775 % similar 2,2′-Oxybis(ethyl tosylate)7460-82-475 % similar 1,3-Propanediol ditosylate5469-66-972 % similar Propyl 4-methylbenzenesulfonate599-91-768 % similar 2-Chloroethyl P-toluenesulfonate80-41-166 % similar Butyl P-toluenesulfonate778-28-964 % similar Ethyl P-toluenesulfonate80-40-062 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook