2-Amino-5-ethyl-3-thiophenecarboxylic acid methyl ester

C₈H₁₁NO₂SCAS 19156-63-9185.24 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₈H₁₁NO₂S
Molar mass: 185.24 g/mol
Exact mass: 185.0510 Da
Melting point: 62 °C
logP: 1.68Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

19156-63-9

SMILES

CCc1cc(C(=O)OC)c(N)s1

InChIKey

YFGOHKLTZXZUPH-UHFFFAOYSA-N

InChI

InChI=1S/C8H11NO2S/c1-3-5-4-6(7(9)12-5)8(10)11-2/h4H,3,9H2,1-2H3

Weigh it out

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

Names and synonyms

3 names

3-Thiophenecarboxylic acid, 2-amino-5-ethyl-, methyl ester
Methyl 5-ethyl-2-amino-thiophene-3-carboxylate
Methyl 2-amino-5-ethyl-3-thiophenecarboxylate

Work with 2-Amino-5-ethyl-3-thiophenecarboxylic acid methyl ester

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

(2-Amino-5-ethylthiophen-3-yl)(2-chlorophenyl)methanone50508-60-651 % similar Methyl 2-amino-3-thiophenecarboxylate4651-81-449 % similar Tetramethyl pyromellitate635-10-946 % similar Methyl 6-amino-3,4-dimethoxybenzoate26759-46-643 % similar Ethyl 2-amino-5-phenylthiophene-3-carboxylate4815-34-342 % similar Methyl 2-amino-4,5-difluorobenzoate207346-42-742 % similar Dimethyl 3-aminoterephthalate5372-81-642 % similar Methyl 2-amino-3-chlorobenzoate77820-58-741 % similar

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

Same formula

4-Ethylbenzenesulfonamide138-38-5 Methyl 3-amino-3-(2-thienyl)propanoate188812-40-0 (βS)-β-Amino-3-thiophenebutanoic acid270262-99-2 Ethyl 2-amino-4-methylthiophene-3-carboxylate43088-42-2 2-Amino-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester4651-93-8 Ethyl 2-amino-5-methylthiophene-3-carboxylate4815-32-1 N-Methyl-p-toluenesulfonamide640-61-9 4-Methyl-5-thiazoleethanol acetate656-53-1

Elsewhere

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