chempirical

2-Ethylhexyl thioglycolate

C10H20O2SCAS 7659-86-1204.33 g/mol

Open in Covalent MOL file
OOSH
EsterThiol

Properties

Molecular formula
C10H20O2S
Molar mass
204.33 g/mol
Exact mass
204.1184 Da
logP
2.68Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
7

Identifiers

CAS number
7659-86-1
SMILES
CCCCC(CC)COC(=O)CS
InChIKey
OWHSTLLOZWTNTQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O2S/c1-3-5-6-9(4-2)7-12-10(11)8-13/h9,13H,3-8H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Acetic acid, 2-mercapto-, 2-ethylhexyl ester
  • Acetic acid, mercapto-, 2-ethylhexyl ester
  • 2-Ethylhexyl 2-mercaptoacetate
  • 2-Ethylhexyl mercaptoacetate
  • Mercaptoacetic acid 2-ethylhexyl ester
  • EHTG
  • 2-Mercaptoacetic acid 2-ethylhexyl ester
  • 2-Ethylhexyl 2-sulfanylacetate

Work with 2-Ethylhexyl thioglycolate

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-Ethylhexyl 3-mercaptopropionate50448-95-875 % similar Bis(2-ethylhexyl) adipate103-23-171 % similar Dioctyl azelate103-24-269 % similar Dioctyl sebacate122-62-369 % similar Ethylhexyl palmitate29806-73-368 % similar 2-Ethylhexyl cyanoacetate13361-34-763 % similar 2-Ethylhexyl acetate103-09-359 % similar 2-Ethylhexyl peroxydicarbonate16111-62-959 % similar

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

Same formula

3-Sulfanylhexyl butyrate136954-21-7

Elsewhere

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