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53213-87-9 | 3,3'-DIHEXYLTHIACARBOCYANINE IODIDE
CAS No: 53213-87-9 Catalog No: AG00DK77 MDL No:
Product Description
Catalog Number:
AG00DK77
Chemical Name:
3,3'-DIHEXYLTHIACARBOCYANINE IODIDE
CAS Number:
53213-87-9
IUPAC Name:
3-hexyl-2-[3-(3-hexyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;iodide
InChI:
InChI=1S/C29H37N2S2.HI/c1-3-5-7-13-22-30-24-16-9-11-18-26(24)32-28(30)20-15-21-29-31(23-14-8-6-4-2)25-17-10-12-19-27(25)33-29;/h9-12,15-21H,3-8,13-14,22-23H2,1-2H3;1H/q+1;/p-1
InChI Key:
NTVGGYAQVRBHAB-UHFFFAOYSA-M
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
604.144g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
604.653g/mol
Monoisotopic Mass:
604.144g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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