2-[2-[(5-chloro-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium

Modify Date: 2025-09-13 14:21:00

2-[2-[(5-chloro-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium structure	Common Name	2-[2-[(5-chloro-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium
	CAS Number	29213-78-3	Molecular Weight	549.16800
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₆H₂₉ClN₂O₃S₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

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

Molecular Formula	C₂₆H₂₉ClN₂O₃S₃
Molecular Weight	549.16800
Exact Mass	548.10300
PSA	148.59000
LogP	6.63090
InChIKey	YJQBFLHCXFMMNZ-UHFFFAOYSA-N
SMILES	CCC(=Cc1sc2cc(C)c(C)cc2[n+]1CCCS(=O)(=O)[O-])C=C1Sc2ccc(Cl)cc2N1CC

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