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90328-30-6

90328-30-6 | Benzothiazolium, 2-(2,4-diphenyl-1,3-butadienyl)-3-ethyl-, iodide

CAS No: 90328-30-6 Catalog No: AG006RQA MDL No:

Product Description

Catalog Number:
AG006RQA
Chemical Name:
Benzothiazolium, 2-(2,4-diphenyl-1,3-butadienyl)-3-ethyl-, iodide
CAS Number:
90328-30-6
Molecular Formula:
C25H22INS
Molecular Weight:
495.4184
IUPAC Name:
2-(2,4-diphenylbuta-1,3-dienyl)-3-ethyl-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C25H22NS.HI/c1-2-26-23-15-9-10-16-24(23)27-25(26)19-22(21-13-7-4-8-14-21)18-17-20-11-5-3-6-12-20;/h3-19H,2H2,1H3;1H/q+1;/p-1
InChI Key:
AKMIEOXBWOZUSW-UHFFFAOYSA-M
SMILES:
CC[n+]1c(C=C(c2ccccc2)C=Cc2ccccc2)sc2c1cccc2.[I-]

Properties

Complexity:
512  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
495.052g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
495.422g/mol
Monoisotopic Mass:
495.052g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  

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