3-ethyl-2-[(Z)-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1,3-benzothiazol-3-ium

Base Information

• Chemical Name: 3-ethyl-2-[(Z)-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1,3-benzothiazol-3-ium
• CAS No.: 20766-55-6
• Molecular Formula: C19H19N2S2
• DSSTox Substance ID: DTXSID00275978
• ChEMBL ID: CHEMBL365324

Synonyms:GNF-PF-4093;3-ethyl-2-[(Z)-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1,3-benzothiazol-3-ium;20766-55-6;CHEMBL365324;WCJHMNADZOKGGL-UHFFFAOYSA-;DTXSID00275978;STK367805;AKOS005444782;InChI=1/C19H19N2S2/c1-3-20-14-9-5-7-11-16(14)22-18(20)13-19-21(4-2)15-10-6-8-12-17(15)23-19/h5-13H,3-4H2,1-2H3/q+1

Chemical Property of 3-ethyl-2-[(Z)-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1,3-benzothiazol-3-ium

Chemical Property:

• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 339.09896596
• Heavy Atom Count: 23
• Complexity: 412

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2SC1=CC3=[N+](C4=CC=CC=C4S3)CC
• Isomeric SMILES: CCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=CC=CC=C4S3)CC

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