6-Benzothiazolecarboxylic acid, 2-amino-, ethyl ester


Chemical Name: 6-Benzothiazolecarboxylic acid, 2-amino-, ethyl ester
CAS Number: 50850-93-6
Product Number: AG0034U5(AGN-PC-0JTLAC)
Synonyms:
MDL No: MFCD00102724
Molecular Formula: C10H10N2O2S
Molecular Weight: 222.2636

Identification/Properties


Properties
MP:
242 - 243 °C
BP:
386.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
222.262g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
222.046g/mol
Monoisotopic Mass:
222.046g/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:
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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