Home Other Building Blocks 3,3'-DIETHYLTHIATRICARBOCYANINE PERCHLORATE

3,3'-DIETHYLTHIATRICARBOCYANINE PERCHLORATE

CAS No.:
22268-66-2
Catalog Number:
AG00BGS6
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00BGS6
Chemical Name:
3,3'-DIETHYLTHIATRICARBOCYANINE PERCHLORATE
CAS Number:
22268-66-2
MDL Number:
MFCD00041995
IUPAC Name:
(2E)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;perchlorate
InChI:
InChI=1S/C25H25N2S2.ClHO4/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;2-1(3,4)5/h5-19H,3-4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
PZQHZVAROUTGBU-UHFFFAOYSA-M
Properties
Complexity:
697  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4  
Exact Mass:
516.094g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
517.055g/mol
Monoisotopic Mass:
516.094g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties