2-[2-[(5-bromo-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-chloro-1-(3-sulphonatopropyl)quinolinium

Modify Date: 2025-10-13 09:05:26

2-[2-[(5-bromo-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-chloro-1-(3-sulphonatopropyl)quinolinium Structure
2-[2-[(5-bromo-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-chloro-1-(3-sulphonatopropyl)quinolinium structure
Common Name 2-[2-[(5-bromo-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-chloro-1-(3-sulphonatopropyl)quinolinium
CAS Number 52450-03-0 Molecular Weight 593.98300
Density N/A Boiling Point N/A
Molecular Formula C26H26BrClN2O3S2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-[2-[2-[(5-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-chloroquinolin-1-ium-1-yl]propane-1-sulfonate

 Chemical & Physical Properties

Molecular Formula C26H26BrClN2O3S2
Molecular Weight 593.98300
Exact Mass 592.02600
PSA 120.35000
LogP 6.71510
InChIKey GLLQOQWZQQOWTA-UHFFFAOYSA-N
SMILES CCC(=Cc1ccc2cc(Cl)ccc2[n+]1CCCS(=O)(=O)[O-])C=C1Sc2ccc(Br)cc2N1CC
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