Ethyl 2-amino-5-methylthiophene-3-carboxylate

C₈H₁₁NO₂SCAS 4815-32-1185.24 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: 44–45 °C
logP: 1.82Crippen 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 irritation50% of notifiers

Aggregated from 2 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

4815-32-1

SMILES

CCOC(=O)c1cc(C)sc1N

InChIKey

AYBUNZGJQVYGTM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

3-Thiophenecarboxylic acid, 2-amino-5-methyl-, ethyl ester
2-Amino-3-carboethoxy-5-methylthiophene
2-Amino-5-methylthiophene-3-carboxylic acid ethyl ester
2-Amino-5-methyl-3-ethoxycarbonylthiophene
2-Amino-3-ethoxycarbonyl-5-methylthiophene

Work with Ethyl 2-amino-5-methylthiophene-3-carboxylate

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 2-amino-5-phenylthiophene-3-carboxylate4815-34-361 % similar Ethyl 2-aminothiophene-3-carboxylate31891-06-257 % similar Ethyl 2-amino-4,5-dimethyl3-thenoate4815-24-150 % similar Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate4815-30-950 % similar Ethyl 2-aminobenzoate87-25-248 % similar Diethyl 2,5-dibromobenzene-1,4-dicarboxylate18013-97-348 % similar Diethyl 2,5-dihydroxyterephthalate5870-38-248 % similar Diethyl phthalate84-66-247 % 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 2-Amino-5-ethyl-3-thiophenecarboxylic acid methyl ester19156-63-9 (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 N-Methyl-p-toluenesulfonamide640-61-9 4-Methyl-5-thiazoleethanol acetate656-53-1

Elsewhere

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