chempirical

Ethyl mercaptoacetate

C4H8O2SCAS 623-51-8120.17 g/mol

Open in Covalent MOL file
OOSH
EsterThiol

Properties

Molecular formula
C4H8O2S
Molar mass
120.17 g/mol
Exact mass
120.0245 Da
Density
1.148 g/mL (at 26 °C)
Boiling point
157 °C
logP
0.48Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
623-51-8
SMILES
CCOC(=O)CS
InChIKey
PVBRSNZAOAJRKO-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Acetic acid, 2-mercapto-, ethyl ester
  • Acetic acid, mercapto-, ethyl ester
  • Ethyl thioglycolate
  • Ethyl 2-mercaptoacetate
  • Ethyl α-mercaptoacetate
  • Mercaptoacetic acid ethyl ester
  • Thioglycolic acid ethyl ester
  • 2-Mercaptoacetic acid ethyl ester
  • Ethoxycarbonylmethanethiol
  • Ethylthiomethyl acetate
  • NSC 8834
  • Sulfanylacetic acid ethyl ester
  • Ethyl 2-sulfanylacetate
  • Ethyl sulfanylacetate

Work with Ethyl mercaptoacetate

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

Ethyl 3-mercaptopropionate5466-06-862 % similar Diethyl malonate105-53-361 % similar Diethyl succinate123-25-161 % similar Glycol dimercaptoacetate123-81-961 % similar Ethyl propionate105-37-358 % similar Diethyl glutarate818-38-258 % similar Butyl thioglycolate10047-28-657 % similar Diethyl adipate141-28-656 % similar

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

Same formula

Sulfolane126-33-0 Methyl (methylthio)acetate16630-66-3 (Ethylsulfonyl)ethene1889-59-4 3-Mercaptoisobutyric acid26473-47-2 Methyl 3-mercaptopropionate2935-90-2 Dimethylsulfonioacetate4727-41-7 2-(Ethylthio)acetic acid627-04-3 3-(Methylthio)propanoic acid646-01-5

Elsewhere

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