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63815-94-1

63815-94-1 | 3-ethyl-2-[2-[[3-(2-hydroxyethyl)-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-6-methoxy-5-methylbenzothiazolium iodide

CAS No: 63815-94-1 Catalog No: AG00ETOT MDL No:

Product Description

Catalog Number:
AG00ETOT
Chemical Name:
3-ethyl-2-[2-[[3-(2-hydroxyethyl)-6-methoxy-5-methyl-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-6-methoxy-5-methylbenzothiazolium iodide
CAS Number:
63815-94-1
IUPAC Name:
2-[2-[2-[(3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-3-yl]ethanol;iodide
InChI:
InChI=1S/C27H33N2O3S2.HI/c1-7-19(13-26-28(8-2)20-11-17(3)22(31-5)15-24(20)33-26)14-27-29(9-10-30)21-12-18(4)23(32-6)16-25(21)34-27;/h11-16,30H,7-10H2,1-6H3;1H/q+1;/p-1
InChI Key:
FQITWMPLHQNZBR-UHFFFAOYSA-M
EC Number:
264-482-6

Properties

Complexity:
747  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
624.098g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
624.596g/mol
Monoisotopic Mass:
624.098g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  

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