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126172-94-9 | Thiopyrylium, 2,6-bis(4-aminophenyl)-4-[4-(dimethylamino)phenyl]-, chloride (1:1)
CAS No: 126172-94-9 Catalog No: AG000RYL MDL No:
Product Description
Catalog Number:
AG000RYL
Chemical Name:
Thiopyrylium, 2,6-bis(4-aminophenyl)-4-[4-(dimethylamino)phenyl]-, chloride (1:1)
CAS Number:
126172-94-9
Molecular Formula:
C25H24ClN3S
Molecular Weight:
433.9962
IUPAC Name:
[4-[2,6-bis(4-aminophenyl)thiopyran-4-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride
InChI:
InChI=1S/C25H23N3S.ClH/c1-28(2)23-13-7-17(8-14-23)20-15-24(18-3-9-21(26)10-4-18)29-25(16-20)19-5-11-22(27)12-6-19;/h3-16H,1-2H3,(H3,26,27);1H
InChI Key:
HGHDIUFFBHTMQV-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1cc(cc([s+]1)c1ccc(cc1)N)c1ccc(cc1)N(C)C.[Cl-]
UNII:
J2V5N8T1BL
Properties
Complexity:
749
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.138g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
433.998g/mol
Monoisotopic Mass:
433.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Comparison of the dark and light-induced toxicity of thio and seleno analogues of the thiopyrylium dye AA1. | Bioorganic & medicinal chemistry 20040515 |
| In vitro photodynamic properties of chalcogenopyrylium analogues of the thiopyrylium antitumor agent AA1. | Journal of medicinal chemistry 20021107 |
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