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90328-29-3 | Benzothiazolium, 2-(2,2-diphenylethenyl)-3-ethyl-, iodide
CAS No: 90328-29-3 Catalog No: AG006FMP MDL No:
Product Description
Catalog Number:
AG006FMP
Chemical Name:
Benzothiazolium, 2-(2,2-diphenylethenyl)-3-ethyl-, iodide
CAS Number:
90328-29-3
Molecular Formula:
C23H20INS
Molecular Weight:
469.3811
IUPAC Name:
2-(2,2-diphenylethenyl)-3-ethyl-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C23H20NS.HI/c1-2-24-21-15-9-10-16-22(21)25-23(24)17-20(18-11-5-3-6-12-18)19-13-7-4-8-14-19;/h3-17H,2H2,1H3;1H/q+1;/p-1
InChI Key:
ZTLNRYBAZWMSEL-UHFFFAOYSA-M
SMILES:
CC[n+]1c(C=C(c2ccccc2)c2ccccc2)sc2c1cccc2.[I-]
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.036g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
469.384g/mol
Monoisotopic Mass:
469.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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