chempirical

3-Amino-5-methyl-thiophene-2-carboxylic acid methyl ester

C7H9NO2SCAS 76575-71-8171.21 g/mol

Open in Covalent MOL file
SOONH2
EsterPrimary amine

Properties

Molecular formula
C7H9NO2S
Molar mass
171.21 g/mol
Exact mass
171.0354 Da
logP
1.43Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
76575-71-8
SMILES
CC1=CC(=C(S1)C(=O)OC)N
InChIKey
FVKMOPIFLCMZMI-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2S/c1-4-3-5(8)6(11-4)7(9)10-2/h3H,8H2,1-2H3

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Names and synonyms

1 names
  • Methyl 3-amino-5-methylthiophene-2-carboxylate

Work with 3-Amino-5-methyl-thiophene-2-carboxylic 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

Methyl 3-amino-5-tert-butylthiophene-2-carboxylate175137-03-862 % similar Methyl 3-amino-5-phenylthiophene-2-carboxylate100063-22-759 % similar Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate175137-08-355 % similar Methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate91076-93-655 % similar Methyl 3-aminothiophene-2-carboxylate22288-78-454 % similar Dimethyl 3-aminoterephthalate5372-81-649 % similar Dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride121071-71-448 % similar Methyl anthranilate134-20-347 % similar

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

Same formula

N-Phenylmethanesulfonamide1197-22-4 (R)-2-Amino-3-(thiophen-3-yl)propanoic acid152612-26-5 2-Thienylalanine2021-58-1 Ethyl 4-methylthiazole-5-carboxylate20582-55-2 L-2-Thienylalanine22951-96-8 4-(1-Methylethyl)-2-thiazolecarboxylic acid300831-06-5 Ethyl 2-aminothiophene-3-carboxylate31891-06-2 3-(Methylsulphonyl)aniline35216-39-8

Elsewhere

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