Thioglycolic acid

C₂H₄O₂SCAS 68-11-192.11 g/mol

Open in Covalent MOL file

Carboxylic acid Thiol

Properties

Molecular formula: C₂H₄O₂S
Molar mass: 92.11 g/mol
Exact mass: 91.9932 Da
Density: 1.3253 g/mL (at 20 °C)
Melting point: −16.5 °C
Boiling point: 120 °C (at 20 Torr)
pKa: 3.55, 9.3, 10.5
Flash point: 130 °C (closed cup)
Water solubility: miscible
logP: 0.00Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H331 Toxic if inhaledAcute toxicity, inhalation

Harmonised EU classification (CLP Annex VI, index 607-090-00-6), via PubChem.

Precautionary statements

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

68-11-1

SMILES

O=C(O)CS

InChIKey

CWERGRDVMFNCDR-UHFFFAOYSA-N

InChI

InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)

Weigh it out

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

Names and synonyms

13 names · show all

Acetic acid, 2-mercapto-
Acetic acid, mercapto-
2-Mercaptoacetic acid
Glycolic acid, 2-thio-
Thiovanic acid
2-Thioglycolic acid
α-Mercaptoacetic acid
Mercaptoacetic acid
2-Mercaptoethanoic acid
Sulfhydrylacetic acid
NSC 1894
TGA
2-Sulfanylacetic acid

Work with Thioglycolic acid

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ammonium thioglycolate5421-46-5Salt Sodium thioglycolate367-51-1Salt Calcium thioglycolate814-71-1Salt Potassium thioglycolate34452-51-2Salt

Similar compounds

3-Mercaptopropionic acid107-96-052 % similar Succinic acid110-15-650 % similar Malonic acid141-82-250 % similar Bromoacetic acid79-08-350 % similar 3,3′-Dithiodipropionic acid1119-62-645 % similar Glutaric acid110-94-145 % similar Adipic acid124-04-945 % similar Polyglycolide26124-68-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia