Ammonium thioglycolate

C₂H₇NO₂SCAS 5421-46-5109.14 g/mol

Open in Covalent MOL file

Carboxylic acid Thiol

Properties

Molecular formula: C₂H₇NO₂S
Molar mass: 109.14 g/mol
Exact mass: 109.0197 Da
Density: 1.205 g/mL (at 20 °C)
Melting point: 139–139.5 °C
pKa: 3.55 (25 °C), 10.22 (25 °C)
Water solubility: miscible
logP: 0.16Crippen estimate
Polar surface area: 72.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals61.7% of notifiers
H301 Toxic if swallowed97% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H412 Harmful to aquatic life with long lasting effects12% of notifiers

Aggregated from 133 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P261, P264, P270, P272, P273, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P390, P405, P406, P501

Identifiers

CAS number

5421-46-5

SMILES

N.O=C(O)CS

InChIKey

ZZTCCAPMZLDHFM-UHFFFAOYSA-N

InChI

InChI=1S/C2H4O2S.H3N/c3-2(4)1-5;/h5H,1H2,(H,3,4);1H3

Weigh it out

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

Names and synonyms

6 names

Acetic acid, 2-mercapto-, ammonium salt (1:1)
Acetic acid, mercapto-, monoammonium salt
Ammonium mercaptoacetate
Ammonium thioglycollate
Thioglycolic acid ammonium salt
Thiofaco A-50

Work with Ammonium 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 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.

Thioglycolic acid68-11-1Free acid Sodium thioglycolate367-51-1Salt Calcium thioglycolate814-71-1Salt Potassium thioglycolate34452-51-2Salt

Similar compounds

Diammonium succinate2226-88-257 % similar Ammonium adipate19090-60-952 % similar Ammonium adipate3385-41-952 % similar Ammonium propionate17496-08-150 % similar Diammonium EDTA20824-56-046 % similar 3-Mercaptopropionic acid107-96-046 % similar Bromoacetic acid79-08-343 % similar Succinic acid110-15-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Methylmethanesulfonamide1184-85-6 Ethanesulfonamide1520-70-3 Hypotaurine300-84-5

Elsewhere

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