chempirical

S-Ethyl thioacetate

C4H8OSCAS 625-60-5104.17 g/mol

Open in Covalent MOL file
SO
Sulfide

Properties

Molecular formula
C4H8OS
Molar mass
104.17 g/mol
Exact mass
104.0296 Da
Density
1.036 g/mL (at 16 °C)
Boiling point
116.4 °C
logP
1.29Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
625-60-5
SMILES
CCSC(C)=O
InChIKey
APTGPWJUOYMUCE-UHFFFAOYSA-N
InChI
InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Ethanethioic acid, S-ethyl ester
  • Acetic acid, thio-, S-ethyl ester
  • Ethanethiol, acetate
  • S-Ethyl thiolacetate
  • Ethyl thiolacetate
  • Ethyl ethanethioate
  • 1-(Ethylsulfanyl)ethan-1-one

Work with S-Ethyl thioacetate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

S-Propyl thioacetate2307-10-059 % similar Ethyl chlorothioformate2941-64-248 % similar S-Ethyl propanethioate2432-42-046 % similar Molinate2212-67-143 % similar S-Ethyl dipropylthiocarbamate759-94-443 % similar S-Methyl thioacetate1534-08-341 % similar S-Ethyl trifluorothioacetate383-64-241 % similar Acetylthiocholine iodide1866-15-540 % similar

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

Same formula

1-(Methylthio)-2-propanone14109-72-9 1,4-Oxathiane15980-15-1 Tetramethylene sulfoxide1600-44-8 Methional3268-49-3 3-Mercapto-2-butanone40789-98-8 S-Methyl thiopropionate5925-75-7

Elsewhere

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