(1E)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2-ylidene)propan-2-one


Chemical Name: (1E)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2-ylidene)propan-2-one
CAS Number: 1169755-45-6
Product Number: AG0096WU(AGN-PC-03ZT00)
Synonyms:
MDL No:
Molecular Formula: C12H13NO2S
Molecular Weight: 235.3021

Identification/Properties


Computed Properties
Molecular Weight:
235.301g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
235.067g/mol
Monoisotopic Mass:
235.067g/mol
Topological Polar Surface Area:
65.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
316
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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