Chemical structure of CAS 27268-50-4

Benzothiazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd with N,N-diethylethanamine (1:1)

CAS No.27268-50-4
MDL No.N/A
MFC31H41Cl2N3O6S4
MW750.80
InChI KeyONJDQJZWBDZPHG-UHFFFAOYSA-N
CUSTOM SYNTHESIS

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Product Information

CAS No.27268-50-4
Product NameBenzothiazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd with N,N-diethylethanamine (1:1)
Heavy Atom Count46Rotatable Bond Count14
Atom Stereo Count0Bond Stereo Count2
HBA9HBD1
TPSA121.930 ŲCharge0
Exact Mass749.12553Complexity1766.26
pKa11.873XLogP7.304