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Home Aminos 3-Ethyl-2-[2-(phenylamino)ethenyl]benzothiazolium iodide

3-Ethyl-2-[2-(phenylamino)ethenyl]benzothiazolium iodide

CAS No.:
60126-86-5
Catalog Number:
AG00EJXC
Molecular Formula:
C17H17IN2S
Molecular Weight:
408.2998
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Product Description
Catalog Number:
AG00EJXC
Chemical Name:
3-Ethyl-2-[2-(phenylamino)ethenyl]benzothiazolium iodide
CAS Number:
60126-86-5
Molecular Formula:
C17H17IN2S
Molecular Weight:
408.2998
MDL Number:
MFCD01232746
IUPAC Name:
N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline;iodide
InChI:
InChI=1S/C17H16N2S.HI/c1-2-19-15-10-6-7-11-16(15)20-17(19)12-13-18-14-8-4-3-5-9-14;/h3-13H,2H2,1H3;1H
InChI Key:
LIBSJLLOCATOHR-UHFFFAOYSA-N
SMILES:
CC[n+]1c(/C=C/Nc2ccccc2)sc2c1cccc2.[I-]
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
408.016g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
408.301g/mol
Monoisotopic Mass:
408.016g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties