Methyl thioglycolate
Properties
- Molecular formula
- C3H6O2S
- Molar mass
- 106.14 g/mol
- Exact mass
- 106.0089 Da
- Boiling point
- 148 °C
- pKa
- 8.08 (25 °C)
- logP
- 0.09Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Danger
- H226 Flammable liquid and vapor72.2% of notifiers
- H301 Toxic if swallowed87.8% of notifiers
- H302 Harmful if swallowed12.2% of notifiers
- H312 Harmful in contact with skin28.9% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction27.8% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled12.2% of notifiers
- H332 Harmful if inhaled81.1% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 90 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
2365-48-2SMILES
COC(=O)CSInChIKey
MKIJJIMOAABWGF-UHFFFAOYSA-NInChI
InChI=1S/C3H6O2S/c1-5-3(4)2-6/h6H,2H2,1H3Weigh 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
Dimethyladipate627-93-052 % similar
Dimethyl 3,3'-dithiobispropionate15441-06-252 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.