3-Ethyl-2-[(1E,3Z)-3-(3-Ethylnaphtho[2,3-d][1,3]Thiazol-2(3H)-Ylidene)-2-Methyl-1-Propen-1-Yl]Naphtho[2,3-d][1,3]Thiazol-3-Ium Bromide - 1,3-Bis[3-(Dimethylamino)Phenyl]-1,3-Propanedione (1:1:1)
[CAS# 4629-50-9]

Identification

• Name: 3-Ethyl-2-[(1E,3Z)-3-(3-Ethylnaphtho[2,3-d][1,3]Thiazol-2(3H)-Ylidene)-2-Methyl-1-Propen-1-Yl]Naphtho[2,3-d][1,3]Thiazol-3-Ium Bromide - 1,3-Bis[3-(Dimethylamino)Phenyl]-1,3-Propanedione (1:1:1)
• Synonyms: 3-Ethyl-2-[(1E,3Z)-3-(3-ethylnaphtho[2,3-d][1,3]thiazol-2(3H)-yliden)-2-methyl-1-propen-1-yl]naphtho[2,3-d][1,3]thiazol-3-iumbromid --1,3-bis[3-(dimethylamino)phenyl]-1,3-propandion (1:1:1); 3-Ethyl-2-[(1E,3Z)-3-(3-ethylnaphtho[2,3-d][1,3]thiazol-2(3H)-ylidene)-2-methyl-1-propen-1-yl]naphtho[2,3-d][1,3]thiazol-3-ium bromide - 1,3-bis[3-(dimethylamino)phenyl]-1,3-propanedione (1:1:1); Bromure de 3-éthyl-2-[(1E,3Z)-3-(3-éthylnaphto[2,3-d][1,3]thiazol-2(3H)-ylidène)-2-méthyl-1-propén-1-yl]naphto[2,3-d][1,3]thiazol-3-ium - 1,3-bis[3-(diméthylamino)phényl]-1,3-propanedione (1:1:1)
• Molecular Formula: C₄₉H₄₉BrN₄O₂S₂
• Molecular Weight: 869.97
• CAS Registry Number: 4629-50-9
• SMILES: CCN\1C2=CC3=CC=CC=C3C=C2S/C1=C\C(=C\C4=[N+](C5=CC6=CC=CC=C6C=C5S4)CC)\C.CN(C)C1=CC=CC(=C1)C(=O)CC(=O)C2=CC(=CC=C2)N(C)C.[Br-]
• InChI: 1S/C30H27N2S2.C19H22N2O2.BrH/c1-4-31-25-16-21-10-6-8-12-23(21)18-27(25)33-29(31)14-20(3)15-30-32(5-2)26-17-22-11-7-9-13-24(22)19-28(26)34-30;1-20(2)16-9-5-7-14(11-16)18(22)13-19(23)15-8-6-10-17(12-15)21(3)4;/h6-19H,4-5H2,1-3H3;5-12H,13H2,1-4H3;1H/q+1;;/p-1
• InChIKey: JGSWZKQZDDUJIR-UHFFFAOYSA-M

Properties

• Melting point: 110-114°C (Expl.)

Safety Data

• Safety Description: 26-37