Thiolactic acid

C₃H₆O₂SCAS 79-42-5106.14 g/mol

Open in Covalent MOL file

Carboxylic acid Thiol

Properties

Molecular formula: C₃H₆O₂S
Molar mass: 106.14 g/mol
Exact mass: 106.0089 Da
Density: 1.193 g/mL (at 19.2 °C)
Melting point: 12 °C
Boiling point: 102 °C (at 16 Torr)
logP: 0.39Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed86.3% of notifiers
H311 Toxic in contact with skin86.3% of notifiers
H314 Causes severe skin burns and eye damage13.7% of notifiers
H330 Fatal if inhaled86.3% of notifiers

Aggregated from 1,491 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

79-42-5

SMILES

CC(S)C(=O)O

InChIKey

PMNLUUOXGOOLSP-UHFFFAOYSA-N

InChI

InChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)

Weigh it out

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

Names and synonyms

13 names · show all

Propanoic acid, 2-mercapto-
Propionic acid, 2-mercapto-
Propionic acid, α-mercapto-
2-Mercaptopropanoic acid
α-Mercaptopropanoic acid
α-Mercaptopropionic acid
2-Mercaptopropionic acid
2-Thiolactic acid
Mercaptopropionic acid
(±)-2-Mercaptopropionic acid
Mercaptolactic acid
2-Sulfanylpropanoic acid
(+-)-2-Mercaptopropionic acid

Work with Thiolactic 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

Similar compounds

Dimercaptosuccinic acid2418-14-650 % similar meso-2,3-Dimercaptosuccinic acid304-55-250 % similar Methylmalonic acid516-05-250 % similar Isobutyric acid79-31-250 % similar D-Lactic acid10326-41-746 % similar Poly[(+)-lactic acid]106989-11-146 % similar Polylactic acid26100-51-646 % similar 3-Mercapto-2-butanone40789-98-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Mercaptopropionic acid107-96-0 Methyl thioglycolate2365-48-2 (Methylthio)acetic acid2444-37-3 Methyl vinyl sulfone3680-02-2

Elsewhere

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