chempirical

Ethofumesate

C13H18O5SCAS 26225-79-6286.34 g/mol

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AcetalEtherSulfonate ester

Properties

Molecular formula
C13H18O5S
Molar mass
286.34 g/mol
Exact mass
286.0875 Da
Melting point
71 °C
logP
2.06Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
26225-79-6
SMILES
CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C
InChIKey
IRCMYGHHKLLGHV-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3

Weigh it out

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

Names and synonyms

19 names · show all
  • 5-Benzofuranol, 2-ethoxy-2,3-dihydro-3,3-dimethyl-, 5-methanesulfonate
  • (±)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranyl methanesulfonate
  • (±)-2,3-Dihydro-3,3-dimethyl-2-ethoxy-5-benzofuranyl methanesulfonate
  • Nortron (new)
  • Tramat
  • Nortron
  • CR 14658
  • Nortron 20EC
  • Stemat
  • Kemiron plus
  • Kemiron plus FL
  • Ethosat
  • Tramat 500
  • Tramat flo
  • Burakosat
  • Prograss
  • 5-Benzofuranol, 2-ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate, (±)-
  • 5-Benzofuranol, 2-ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate
  • NC 8438

Work with Ethofumesate

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

Phenyl methanesulfonate16156-59-534 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook