2-[(4-{2-[4-(Dimethylamino)Phenyl]Vinyl}-2H-Chromen-2-Ylidene)Methyl]-3-Ethyl-1,3-Benzothiazol-3-Ium Perchlorate
[CAS# 112900-09-1]

Identification

• Name: 2-[(4-{2-[4-(Dimethylamino)Phenyl]Vinyl}-2H-Chromen-2-Ylidene)Methyl]-3-Ethyl-1,3-Benzothiazol-3-Ium Perchlorate
• Synonyms: 2-[[4-[2-[4-(dimethylamino)phenyl]ethenyl] -2H-1-benzopyran-2-ylidene]methyl]-3-ethyl perchlorate; benzothiazolium
• Molecular Formula: C₂₉H₂₇ClN₂O₅S
• Molecular Weight: 551.05
• CAS Registry Number: 112900-09-1
• SMILES: [O-]Cl(=O)(=O)=O.CN(C)c1ccc(cc1)C=C/C2=C/C(Oc3ccccc23)=Cc5sc4ccccc4[n+]5CC
• InChI: 1S/C29H27N2OS.ClHO4/c1-4-31-26-10-6-8-12-28(26)33-29(31)20-24-19-22(25-9-5-7-11-27(25)32-24)16-13-21-14-17-23(18-15-21)30(2)3;2-1(3,4)5/h5-20H,4H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
• InChIKey: PWJUUUHNMHKNJB-UHFFFAOYSA-M

Properties

• Melting point: 295°C (Expl.)
• Refractive index: (Cal.)

Safety Data

• Safety Description: Safety glasses. Avoid dust.