chempirical

Methyl thioglycolate

C3H6O2SCAS 2365-48-2106.14 g/mol

Open in Covalent MOL file
OOSH
EsterThiol

Properties

Molecular formula
C3H6O2S
Molar mass
106.14 g/mol
Exact mass
106.0089 Da
Boiling point
148 °C
logP
0.09Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
2365-48-2
SMILES
COC(=O)CS
InChIKey
MKIJJIMOAABWGF-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O2S/c1-5-3(4)2-6/h6H,2H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • Acetic acid, 2-mercapto-, methyl ester
  • Acetic acid, mercapto-, methyl ester
  • Methyl mercaptoacetate
  • Thioglycolic acid methyl ester
  • Methyl 2-mercaptoacetate
  • Mercaptoacetic acid methyl ester
  • Methyl α-mercaptoacetate
  • NSC 75117
  • 2-Mercaptoacetic acid methyl ester
  • Methyl sulfanylacetate
  • Methyl 2-sulfanylacetate

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

Similar compounds

Methyl 3-mercaptopropionate2935-90-258 % similar Dimethyl succinate106-65-057 % similar Dimethyl malonate108-59-857 % similar Dimethyl glutarate1119-40-055 % similar Glycol dimercaptoacetate123-81-952 % similar Methyl propionate554-12-152 % similar Dimethyl adipate627-93-052 % similar Dimethyl 3,3′-dithiobis[propanoate]15441-06-252 % similar

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

Same formula

3-Mercaptopropionic acid107-96-0 (Methylthio)acetic acid2444-37-3 Methyl vinyl sulfone3680-02-2 Thiolactic acid79-42-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook