Ethyl 3-(methylthio)propionate

C₆H₁₂O₂SCAS 13327-56-5148.22 g/mol

Properties

Molecular formula: C₆H₁₂O₂S
Molar mass: 148.22 g/mol
Exact mass: 148.0558 Da
Density: 1.03–1.035 g/mL
Boiling point: 71–72 °C (at 0.8 Torr)
logP: 1.30Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Not classified as hazardous under GHS by 173 ECHA notifiers. Aggregated from 173 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

13327-56-5

SMILES

CCOC(=O)CCSC

InChIKey

YSNWHRKJEKWJNY-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O2S/c1-3-8-6(7)4-5-9-2/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

10 names

Ethyl 3-methylthiopropionate
Propanoic acid, 3-(methylthio)-, ethyl ester
Propionic acid, 3-(methylthio)-, ethyl ester
Ethyl β-methylthiopropionate
3-(Methylthio)propionic acid ethyl ester
Ethyl 3-methylthiopropanoate
NSC 165650
3-(Methylthio)propanoic acid ethyl ester
Ethyl 3-methylthio-1-propanoate
Ethyl 3-methylmercapto-propionate

Work with Ethyl 3-(methylthio)propionate

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

Ethyl (methylthio)acetate4455-13-464 % similar Diethyl succinate123-25-164 % similar Ethyl butyrate105-54-463 % similar Diethyl glutarate818-38-262 % similar Diethyl adipate141-28-659 % similar Methyl 3-methylthiopropionate13532-18-859 % similar Diethyl sebacate110-40-757 % similar Diethyl pimelate2050-20-657 % similar

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

Same formula

2,4-Dimethylsulfolane1003-78-7 Butyl thioglycolate10047-28-6 3-(Methylthio)propyl acetate16630-55-0 (Methylthio)methyl butanoate74758-93-3

Elsewhere

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