3-Thiophenecarboxylicacid, 2-amino-4-ethyl-5-methyl-, methyl ester


Chemical Name: 3-Thiophenecarboxylicacid, 2-amino-4-ethyl-5-methyl-, methyl ester
CAS Number: 4815-25-2
Product Number: AG00D8JP(AGN-PC-0RYO9B)
Synonyms:
MDL No:
Molecular Formula: C9H13NO2S
Molecular Weight: 199.2700

Identification/Properties


Properties
Form:
Solid
Computed Properties
Molecular Weight:
199.268g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
199.067g/mol
Monoisotopic Mass:
199.067g/mol
Topological Polar Surface Area:
80.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
198
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The compound Methyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate, also known as $name$, plays a crucial role in chemical synthesis as a versatile building block. With its unique molecular structure, this compound serves as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other fine chemicals. Its amino, ethyl, methyl, and thiophene groups make it a valuable precursor for the formation of complex organic molecules. In organic synthesis, $name$ can participate in a range of reactions such as acylation, alkylation, and cyclization, providing a pathway to diverse molecular structures with potential biological activities. Its presence in chemical reactions can lead to the creation of innovative compounds with improved properties for various industrial applications.