5-Thiazolecarboxylic acid, 2-amino-4-phenyl-, ethyl ester


Chemical Name: 5-Thiazolecarboxylic acid, 2-amino-4-phenyl-, ethyl ester
CAS Number: 64399-23-1
Product Number: AG003Q37(AGN-PC-0JLB02)
Synonyms:
MDL No:
Molecular Formula: C12H12N2O2S
Molecular Weight: 248.3009

Identification/Properties


Properties
MP:
169-173 °C(lit.)
Form:
Solid
Refractive Index:
1.5950 (estimate)
Computed Properties
Molecular Weight:
248.3g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
248.062g/mol
Monoisotopic Mass:
248.062g/mol
Topological Polar Surface Area:
93.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
269
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-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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