Methyl 2-amino-3-thiophenecarboxylate

C₆H₇NO₂SCAS 4651-81-4157.19 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₆H₇NO₂S
Molar mass: 157.19 g/mol
Exact mass: 157.0197 Da
Melting point: 77–78 °C
logP: 1.12Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 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

4651-81-4

SMILES

COC(=O)c1ccsc1N

InChIKey

DGGJQLCAYQCPDD-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO2S/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,7H2,1H3

Weigh it out

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

Names and synonyms

6 names

3-Thiophenecarboxylic acid, 2-amino-, methyl ester
2-Amino-3-methoxycarbonylthiophene
2-Amino-3-carbomethoxythiophene
2-Amino-3-thiophenecarboxylic acid methyl ester
NSC 523742
Methyl 2-amino-3-thenoate

Work with Methyl 2-amino-3-thiophenecarboxylate

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-aminothiophene-3-carboxylate31891-06-266 % similar 2-Amino-3-thiophenecarboxamide14080-51-453 % similar Dimethyl phthalate131-11-350 % similar Methyl anthranilate134-20-350 % similar 2-Amino-5-ethyl-3-thiophenecarboxylic acid methyl ester19156-63-949 % similar Methyl 3-methylthiophene-2-carboxylate81452-54-249 % similar Tetramethyl pyromellitate635-10-948 % similar 2-Thiophenecarboxylicacid,3-fluoro-,methylester(9ci)100421-52-147 % similar

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

Same formula

(αR)-α-Amino-3-thiopheneacetic acid1194-86-1 3-(2-Thiazolyl)propionic acid144163-65-5 Ethyl 1,3-thiazole-4-carboxylate14527-43-6 α-Amino-2-thiopheneacetic acid21124-40-3 Methyl 3-aminothiophene-2-carboxylate22288-78-4 Ethyl thiazole-5-carboxylate32955-22-9 (S)-2-Thienylglycine43189-45-3 Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-2

Elsewhere

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