chempirical

Ethyl 2-amino-4,5-dimethyl3-thenoate

C9H13NO2SCAS 4815-24-1199.27 g/mol

Open in Covalent MOL file
OOH2NS
EsterPrimary amine

Properties

Molecular formula
C9H13NO2S
Molar mass
199.27 g/mol
Exact mass
199.0667 Da
Melting point
91–92 °C
logP
2.12Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

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
4815-24-1
SMILES
CCOC(=O)c1c(N)sc(C)c1C
InChIKey
JYSDXODDWAQWJR-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO2S/c1-4-12-9(11)7-5(2)6(3)13-8(7)10/h4,10H2,1-3H3

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Names and synonyms

6 names
  • Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate
  • 3-Thiophenecarboxylic acid, 2-amino-4,5-dimethyl-, ethyl ester
  • 2-Amino-3-carbethoxy-4,5-dimethylthiophene
  • 2-Amino-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester
  • NSC 86908
  • 2-Amino-3-(ethoxycarbonyl)-4,5-dimethylthiophene

Work with Ethyl 2-amino-4,5-dimethyl3-thenoate

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

Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate4815-30-974 % similar 2-Amino-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester4651-93-866 % similar Ethyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate4815-37-662 % similar Ethyl 2-amino-4-methylthiophene-3-carboxylate43088-42-255 % similar Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate4506-71-255 % similar Ethyl 2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate4815-29-655 % similar Ethyl 2-amino-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate174072-89-053 % similar Ethyl 2-amino-5-methylthiophene-3-carboxylate4815-32-150 % similar

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

Same formula

N-Ethyl-o-toluenesulfonamide1077-56-1 tert-Butyl N-(thiophen-2-yl)carbamate56267-50-6 2-(Propane-2-sulfonyl)aniline76697-50-2 N-Ethyl-4-methylbenzenesulfonamide80-39-7

Elsewhere

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