Methyl 3-aminothiophene-2-carboxylate

C₆H₇NO₂SCAS 22288-78-4157.19 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: 65 °C
Boiling point: 101 °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 irritation96.2% of notifiers
H319 Causes serious eye irritation98.1% of notifiers
H335 May cause respiratory irritation94.3% of notifiers

Aggregated from 53 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

22288-78-4

SMILES

COC(=O)c1sccc1N

InChIKey

TWEQNZZOOFKOER-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

2-Thiophenecarboxylic acid, 3-amino-, methyl ester
3-Amino-2-methoxycarbonylthiophene
Methyl 3-amino-2-thiophenecarboxylate
3-Amino-2-thiophenecarboxylic acid methyl ester
3-Aminothiophen-2-carboxylic acid methyl ester

Work with Methyl 3-aminothiophene-2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 3-methoxythiophene-2-carboxylate62353-75-767 % similar Methyl 3-methylthiophene-2-carboxylate81452-54-264 % similar 2-Thiophenecarboxylicacid,3-fluoro-,methylester(9ci)100421-52-162 % similar Methyl 3-bromothiophene-2-carboxylate26137-08-662 % similar Methyl 3-hydroxythiophene-2-carboxylate5118-06-962 % similar Methyl 3-chlorothiophene-2-carboxylate88105-17-362 % similar Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate59337-93-858 % similar Dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride121071-71-455 % 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 Ethyl thiazole-5-carboxylate32955-22-9 (S)-2-Thienylglycine43189-45-3 Methyl 2-amino-3-thiophenecarboxylate4651-81-4 Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook