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63816-16-0 | 3-ethyl-2-[2-[(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methylbenzothiazolium iodide
CAS No: 63816-16-0 Catalog No: AG00EUBT MDL No:
Product Description
Catalog Number:
AG00EUBT
Chemical Name:
3-ethyl-2-[2-[(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methylbenzothiazolium iodide
CAS Number:
63816-16-0
IUPAC Name:
3-ethyl-2-[2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methyl-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C25H29N2OSSe.HI/c1-6-18(14-24-26(7-2)20-11-9-17(4)13-22(20)29-24)15-25-27(8-3)21-16-19(28-5)10-12-23(21)30-25;/h9-16H,6-8H2,1-5H3;1H/q+1;/p-1
InChI Key:
CQAPUGWAMRGZBV-UHFFFAOYSA-M
EC Number:
264-494-1
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
612.021g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
611.455g/mol
Monoisotopic Mass:
612.021g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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