4-Benzothiazolecarboxylic acid, 2-amino-4,5,6,7-tetrahydro-, ethyl ester


Chemical Name: 4-Benzothiazolecarboxylic acid, 2-amino-4,5,6,7-tetrahydro-, ethyl ester
CAS Number: 76263-11-1
Product Number: AG00G2Y4(AGN-PC-05YJMA)
Synonyms:
MDL No:
Molecular Formula: C10H14N2O2S
Molecular Weight: 226.2954

Identification/Properties


Computed Properties
Molecular Weight:
226.294g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
226.078g/mol
Monoisotopic Mass:
226.078g/mol
Topological Polar Surface Area:
93.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
250
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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-H315-H319-H335
Precautionary Statements:
P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[d]thiazole-4-carboxylate is a versatile compound used in chemical synthesis for various applications. This compound is often employed in the development of pharmaceuticals and agrochemicals due to its unique structural properties and functional groups. In chemical synthesis, Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[d]thiazole-4-carboxylate can serve as a key intermediate in the production of heterocyclic compounds, which are essential building blocks in the creation of diverse organic molecules. Its reactivity and stability make it a valuable tool for organic chemists working on the design and synthesis of complex molecules with specific biological or industrial properties.