chempirical

Ethylene glycol ditosylate

C16H18O6S2CAS 6315-52-2370.43 g/mol

Open in Covalent MOL file
SOOOOSOO
Sulfonate ester

Properties

Molecular formula
C16H18O6S2
Molar mass
370.43 g/mol
Exact mass
370.0545 Da
Melting point
120–121 °C
logP
2.41Crippen estimate
Polar surface area
86.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
7

Identifiers

CAS number
6315-52-2
SMILES
Cc1ccc(S(=O)(=O)OCCOS(=O)(=O)c2ccc(C)cc2)cc1
InChIKey
LZIPBJBQQPZLOR-UHFFFAOYSA-N
InChI
InChI=1S/C16H18O6S2/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3

Weigh it out

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

Names and synonyms

21 names · show all
  • 1,2-Ethanediol, 1,2-bis(4-methylbenzenesulfonate)
  • Ethylene glycol, di-p-toluenesulfonate
  • 1,2-Ethanediol, bis(4-methylbenzenesulfonate)
  • Di-O-tosylglycol
  • Ethylene di-p-toluenesulfonate
  • Ethylene glycol ditoluenesulfonate
  • 1,2-Ethylene ditosylate
  • Ethylene glycol bis(p-toluenesulfonate)
  • 1,2-Bis(p-tolylsulfonyloxy)ethane
  • Ethylene glycol di-p-tosylate
  • 1,2-Bistosyloxy ethane
  • 1,2-Di(tosyloxy)ethane
  • 1,2-Bis(p-toluenesulfonyloxy)ethane
  • 1,2-Ethanediol ditosylate
  • Ethylene 1,2-bis(tosylate)
  • 1,2-Bis(4-methylbenzenesulfonyloxy)ethane
  • NSC 21094
  • 1,2-Di(p-tosyloxy)ethane
  • Ethylene glycol 1,2-ditosylate
  • Ethane-1,2-diyl bis(4-methylbenzenesulfonate)
  • 2-(4-Methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate

Work with Ethylene glycol ditosylate

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

Triethylene glycol ditosylate19249-03-789 % similar 2,2′-Oxybis(ethyl tosylate)7460-82-489 % similar 1,3-Propanediol ditosylate5469-66-985 % similar 2-Methoxyethyl P-toluenesulfonate17178-10-883 % similar Propyl 4-methylbenzenesulfonate599-91-779 % similar 2-Chloroethyl P-toluenesulfonate80-41-177 % similar Butyl P-toluenesulfonate778-28-974 % similar Ethyl P-toluenesulfonate80-40-072 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook