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63815-83-8 | 2-[3-(3-ethyl-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene)-2-(2-thienyl)-1-propenyl]-1-methylnaphtho[1,2-d]thiazolium iodide
CAS No: 63815-83-8 Catalog No: AG00ETHK MDL No:
Product Description
Catalog Number:
AG00ETHK
Chemical Name:
2-[3-(3-ethyl-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene)-2-(2-thienyl)-1-propenyl]-1-methylnaphtho[1,2-d]thiazolium iodide
CAS Number:
63815-83-8
IUPAC Name:
2-[3-(3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylprop-1-enyl]-1-methylbenzo[e][1,3]benzothiazol-1-ium;iodide
InChI:
InChI=1S/C30H27N2OS3.HI/c1-5-32-23-15-19(2)24(33-4)18-27(23)36-29(32)17-21(25-11-8-14-34-25)16-28-31(3)30-22-10-7-6-9-20(22)12-13-26(30)35-28;/h6-18H,5H2,1-4H3;1H/q+1;/p-1
InChI Key:
DBRUMENGKOETDA-UHFFFAOYSA-M
EC Number:
264-478-4
Properties
Complexity:
848
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
654.033g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
654.643g/mol
Monoisotopic Mass:
654.033g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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