Ethyl 3-mercaptopropionate

C₅H₁₀O₂SCAS 5466-06-8134.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₀O₂S
Molar mass: 134.19 g/mol
Exact mass: 134.0402 Da
Density: 1.055 g/mL (at 20 °C)
Boiling point: 77.5 °C (at 20 Torr)
logP: 0.87Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation99.2% of notifiers
H319 Causes serious eye irritation99.2% of notifiers
H335 May cause respiratory irritation99.2% of notifiers

Aggregated from 1,442 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5466-06-8

SMILES

CCOC(=O)CCS

InChIKey

CJQWLNNCQIHKHP-UHFFFAOYSA-N

InChI

InChI=1S/C5H10O2S/c1-2-7-5(6)3-4-8/h8H,2-4H2,1H3

Weigh it out

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

Names and synonyms

10 names

Propanoic acid, 3-mercapto-, ethyl ester
Propionic acid, 3-mercapto-, ethyl ester
Ethyl β-mercaptopropionate
3-Mercaptopropanoic acid ethyl ester
Ethyl 3-mercaptopropanoate
3-Mercaptopropionic acid ethyl ester
NSC 25754
β-Mercaptopropionic acid ethyl ester
EPM (thiol)
EPM

Work with Ethyl 3-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 glutarate818-38-274 % similar Diethyl adipate141-28-671 % similar Diethyl succinate123-25-170 % similar Diethyl sebacate110-40-768 % similar Diethyl pimelate2050-20-668 % similar Diethyl suberate2050-23-968 % similar Diethyl azelate624-17-968 % similar 1,1′-(1,2-Ethanediyl) bis(3-mercaptopropanoate)22504-50-364 % similar

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

Same formula

Methyl 3-methylthiopropionate13532-18-8 Ethyl 2-mercaptopropionate19788-49-9 Ethyl (methylthio)acetate4455-13-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook