Ethyl 2-mercaptopropionate

C₅H₁₀O₂SCAS 19788-49-9134.19 g/mol

Open in Covalent MOL file

Ester Thiol

Properties

Molecular formula: C₅H₁₀O₂S
Molar mass: 134.19 g/mol
Exact mass: 134.0402 Da
Density: 1.027–1.05 g/mL
Boiling point: 40–41 °C (at 1 Torr)
logP: 0.87Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H226 Flammable liquid and vapor10.3% of notifiers
H302 Harmful if swallowed96.3% of notifiers
H315 Causes skin irritation96.1% of notifiers
H319 Causes serious eye irritation96.1% of notifiers
H332 Harmful if inhaled96.3% of notifiers
H335 May cause respiratory irritation96% of notifiers

Aggregated from 1,447 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, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

19788-49-9

SMILES

CCOC(=O)C(C)S

InChIKey

LXXNWCFBZHKFPT-UHFFFAOYSA-N

InChI

InChI=1S/C5H10O2S/c1-3-7-5(6)4(2)8/h4,8H,3H2,1-2H3

Weigh it out

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

Names and synonyms

9 names

Propanoic acid, 2-mercapto-, ethyl ester
Propionic acid, 2-mercapto-, ethyl ester
Ethyl α-mercaptopropionate
2-Mercaptopropionic acid ethyl ester
Ethyl 2-mercaptopropanoate
(±)-2-Mercaptopropionic acid ethyl ester
α-Mercaptopropionic acid ethyl ester
2-Mercaptopropanoic acid ethyl ester
Ethyl 2-sulfanylpropanoate

Work with Ethyl 2-mercaptopropionate

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

Diethyl methylmalonate609-08-559 % similar Ethyl isobutyrate97-62-159 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-358 % similar 1,3-Diethyl 2-(1-methylethyl)propanedioate759-36-455 % similar 1,2-Diethyl (1R,2R)-1,2-cyclopropanedicarboxylate3999-55-154 % similar Ethyl cyclopropanecarboxylate4606-07-954 % similar Diethyl isobutylmalonate10203-58-453 % similar Ethyl 2-fluoropropionate127306-59-653 % similar

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

Same formula

Methyl 3-methylthiopropionate13532-18-8 Ethyl (methylthio)acetate4455-13-4 Ethyl 3-mercaptopropionate5466-06-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook