Benzothiazolium, 3-ethyl-2-[2-(phenylamino)ethenyl]-, iodide


Chemical Name: Benzothiazolium, 3-ethyl-2-[2-(phenylamino)ethenyl]-, iodide
CAS Number: 60126-86-5
Product Number: AG00EJXC(AGN-PC-00IRMP)
Synonyms:
MDL No:
Molecular Formula: C17H17IN2S
Molecular Weight: 408.2998

Identification/Properties


Computed Properties
Molecular Weight:
408.301g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
408.016g/mol
Monoisotopic Mass:
408.016g/mol
Topological Polar Surface Area:
44.2A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
325
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-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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