3,3'-Diethylthiacarbocyanine

Base Information

• Chemical Name: 3,3'-Diethylthiacarbocyanine
• CAS No.: 18403-49-1
• Molecular Formula: C21H21N2S2
• UNII: YBM8W799TH
• DSSTox Substance ID: DTXSID9048352
• Nikkaji Number: J1.579.603K,J283.024H,J273.935F,J679.436J,J1.625.918G
• Mol file: 18403-49-1.mol

Synonyms:3,3'-diethylthiacarbocyanine;YBM8W799TH;Crysta-lyn 551024 cation;18403-49-1;Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)propenyl)-;GNF-Pf-2304;Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-1-propen-1-yl)-;Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-1-propenyl)-;GNF-PF-3148;NK-180;UNII-YBM8W799TH;DTXSID9048352;(1E,3E)-1-[(3-Ethylbenzothiazolium)-2-yl]-3-[(3-ethylbenzothiazol)-2-ylidene]-1-propene;2-[(1E)-3-[3-Ethylbenzothiazole-2(3H)-ylidene]-1-propenyl]-3-ethylbenzothiazole-3-ium;2-[(1E,3Z)-3-[3-Ethylbenzothiazole-2(3H)-ylidene]-1-propenyl]-3-ethylbenzothiazole-3-ium;3-Ethyl-2-[3-(3-ethyl-2,3-dihydrobenzothiazole-2-ylidene)-1-propenyl]benzothiazole-1-ium

Chemical Property of 3,3'-Diethylthiacarbocyanine

Chemical Property:

• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 365.11461603
• Heavy Atom Count: 25
• Complexity: 474

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC

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