2-Benzothiazolamine, N-[4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl]-


Chemical Name: 2-Benzothiazolamine, N-[4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl]-
CAS Number: 201410-53-9
Product Number: AG002DDL(AGN-PC-0MTPZM)
Synonyms:
MDL No:
Molecular Formula: C21H23N5S
Molecular Weight: 377.5058

Identification/Properties


Computed Properties
Molecular Weight:
377.51g/mol
XLogP3:
6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
377.167g/mol
Monoisotopic Mass:
377.167g/mol
Topological Polar Surface Area:
83.9A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
452
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:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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