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42165-79-7 | 3-ethyl-2-[3-(3-ethyl-5-methyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5-methylbenzothiazolium iodide
CAS No: 42165-79-7 Catalog No: AG00CUSK MDL No:
Product Description
Catalog Number:
AG00CUSK
Chemical Name:
3-ethyl-2-[3-(3-ethyl-5-methyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5-methylbenzothiazolium iodide
CAS Number:
42165-79-7
IUPAC Name:
3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-methyl-1,3-benzothiazole;iodide
InChI:
InChI=1S/C24H27N2S2.HI/c1-6-25-19-12-16(3)8-10-21(19)27-23(25)14-18(5)15-24-26(7-2)20-13-17(4)9-11-22(20)28-24;/h8-15H,6-7H2,1-5H3;1H/q+1;/p-1
InChI Key:
PMTWUKYACWLILD-UHFFFAOYSA-M
EC Number:
255-690-8
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.066g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
534.518g/mol
Monoisotopic Mass:
534.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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