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32835-32-8 | 3-ethyl-2-[3-(3-ethyl-3H-benzoselenazol-2-ylidene)prop-1-enyl]benzothiazolium iodide
CAS No: 32835-32-8 Catalog No: AG00CUXC MDL No:
Product Description
Catalog Number:
AG00CUXC
Chemical Name:
3-ethyl-2-[3-(3-ethyl-3H-benzoselenazol-2-ylidene)prop-1-enyl]benzothiazolium iodide
CAS Number:
32835-32-8
IUPAC Name:
(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;iodide
InChI:
InChI=1S/C21H21N2SSe.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
XQBWIWSPKBQVAW-UHFFFAOYSA-M
EC Number:
251-252-5
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
539.964g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
539.348g/mol
Monoisotopic Mass:
539.964g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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