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53213-85-7 | 3 3'-DIBUTYLTHIACARBOCYANINE IODIDE
CAS No: 53213-85-7 Catalog No: AG00DK87 MDL No:
Product Description
Catalog Number:
AG00DK87
Chemical Name:
3 3'-DIBUTYLTHIACARBOCYANINE IODIDE
CAS Number:
53213-85-7
IUPAC Name:
(2E)-3-butyl-2-[(E)-3-(3-butyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;iodide
InChI:
InChI=1S/C25H29N2S2.HI/c1-3-5-18-26-20-12-7-9-14-22(20)28-24(26)16-11-17-25-27(19-6-4-2)21-13-8-10-15-23(21)29-25;/h7-17H,3-6,18-19H2,1-2H3;1H/q+1;/p-1
InChI Key:
IBLJGRBTLKWIGM-UHFFFAOYSA-M
EC Number:
258-430-1
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
548.082g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
548.545g/mol
Monoisotopic Mass:
548.082g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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